Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
137653739 | 158693 | 0 | None | 28 | 4 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1632 | 51 | 23 | 21 | -3.6 | 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)CN[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.7b01295 | ||
CHEMBL4093140 | 158693 | 0 | None | 28 | 4 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1632 | 51 | 23 | 21 | -3.6 | 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)CN[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.7b01295 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
45487403 | 197433 | 0 | None | 33 | 5 | Human | 11.0 | pEC50 | = | 11 | 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 | 197433 | 0 | None | 33 | 5 | Human | 11.0 | pEC50 | = | 11 | 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 | ||
88944368 | 143500 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3898758 | 143500 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
88944179 | 151050 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 924 | 16 | 13 | 10 | -1.3 | CCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3958741 | 151050 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 924 | 16 | 13 | 10 | -1.3 | CCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
53236833 | 146566 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 1024 | 19 | 14 | 11 | -1.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3922906 | 146566 | 0 | None | - | 1 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 1024 | 19 | 14 | 11 | -1.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
88944367 | 148288 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3936714 | 148288 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL428615 | 213458 | 0 | None | -2 | 5 | Human | 10.8 | pEC50 | = | 10.8 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
CHEMBL428615 | 213458 | 0 | None | -2 | 5 | Human | 10.8 | pEC50 | = | 10.8 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
88944347 | 143184 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3896173 | 143184 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL386081 | 212373 | 0 | None | 8 | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | ||||
122194229 | 123981 | 0 | None | 5 | 5 | Mouse | 10.7 | pEC50 | = | 10.7 | 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.2015.09.046 | ||
CHEMBL3629347 | 123981 | 0 | None | 5 | 5 | Mouse | 10.7 | pEC50 | = | 10.7 | 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.2015.09.046 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
1323 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
92432 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL430239 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL2114259 | 209251 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | 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](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(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@H](C)c1ccccc1 | 10.1021/jm970018t | ||||
44310104 | 81586 | 0 | None | 4 | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | 81586 | 0 | None | 4 | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | ||
1323 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
92432 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL430239 | 2686 | 55 | None | 1 | 8 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL429236 | 213514 | 0 | None | 5 | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
88944296 | 142593 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3891338 | 142593 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
53236832 | 151911 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1002 | 19 | 13 | 12 | -0.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3966176 | 151911 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 1002 | 19 | 13 | 12 | -0.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL428615 | 213458 | 0 | None | -1 | 5 | Mouse | 10.6 | pEC50 | = | 10.6 | 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](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
1323 | 2686 | 55 | None | 1 | 8 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
92432 | 2686 | 55 | None | 1 | 8 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL430239 | 2686 | 55 | None | 1 | 8 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
88944280 | 145082 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 922 | 15 | 13 | 10 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | ||
CHEMBL3911582 | 145082 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 922 | 15 | 13 | 10 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL267794 | 210731 | 0 | None | 7 | 4 | Mouse | 10.5 | pEC50 | = | 10.5 | 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 | ||||
CHEMBL266417 | 210681 | 0 | None | 1 | 6 | Human | 10.4 | pEC50 | = | 10.4 | 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 | ||||
CHEMBL266417 | 210681 | 0 | None | 1 | 6 | Human | 10.4 | pEC50 | = | 10.4 | 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 | ||||
CHEMBL410763 | 212836 | 0 | None | 7 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | 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 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL266417 | 210681 | 0 | None | -1 | 6 | Mouse | 10.4 | pEC50 | = | 10.4 | 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 | ||||
122194229 | 123981 | 0 | None | 5 | 5 | Mouse | 10.4 | pEC50 | = | 10.4 | 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 | 123981 | 0 | None | 5 | 5 | Mouse | 10.4 | pEC50 | = | 10.4 | 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 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 10.4 | pEC50 | = | 10.4 | 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/acsmedchemlett.9b00198 | ||||
16133793 | 209277 | 36 | None | 1 | 8 | Mouse | 10.4 | pEC50 | = | 10.4 | 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/acsmedchemlett.9b00198 | ||||
44273719 | 209277 | 36 | None | 1 | 8 | Mouse | 10.4 | pEC50 | = | 10.4 | 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/acsmedchemlett.9b00198 | ||||
CHEMBL214332 | 209277 | 36 | None | 1 | 8 | Mouse | 10.4 | pEC50 | = | 10.4 | 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/acsmedchemlett.9b00198 | ||||
CHEMBL2371851 | 210137 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | 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 | ||||
168289404 | 191310 | 0 | None | 4 | 4 | Human | 10.4 | pEC50 | = | 10.4 | 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 | 191310 | 0 | None | 4 | 4 | Human | 10.4 | pEC50 | = | 10.4 | 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 | ||
11845450 | 138467 | 0 | None | 28 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377465 | 138467 | 0 | None | 28 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL264536 | 210625 | 5 | None | 8 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | 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(=O)NCC(N)=O | 10.1021/jm010061n | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
168284256 | 190944 | 0 | None | 2 | 4 | Human | 10.3 | pEC50 | = | 10.3 | 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 | 190944 | 0 | None | 2 | 4 | Human | 10.3 | pEC50 | = | 10.3 | 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 | ||
CHEMBL414965 | 213164 | 0 | None | 1 | 5 | Mouse | 10.3 | pEC50 | = | 10.3 | 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 | ||||
127036484 | 136443 | 0 | None | 2 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | 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 | 136443 | 0 | None | 2 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | 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 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44394624 | 97014 | 0 | None | 60 | 3 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 964 | 27 | 11 | 9 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL266665 | 97014 | 0 | None | 60 | 3 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 964 | 27 | 11 | 9 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
88878668 | 154283 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3986527 | 154283 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL428801 | 213470 | 0 | None | 3 | 5 | Human | 10.3 | pEC50 | = | 10.3 | 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)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 | ||||
CHEMBL428801 | 213470 | 0 | None | 3 | 5 | Human | 10.3 | pEC50 | = | 10.3 | 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)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 | ||||
CHEMBL5083551 | 214867 | 0 | None | 10 | 4 | Human | 10.3 | pEC50 | = | 10.3 | Functional | 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 | ||||
127036484 | 136443 | 0 | None | 2 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | 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 | 136443 | 0 | None | 2 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | 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 | ||
CHEMBL3350329 | 211469 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | 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@H](C)c2c[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/jm970018t | ||||
CHEMBL5092761 | 215386 | 0 | None | 281 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | 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 | ||||
88944297 | 154148 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1030 | 21 | 15 | 11 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O | nan | ||
CHEMBL3985463 | 154148 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1030 | 21 | 15 | 11 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O | nan | ||
44415913 | 79949 | 0 | None | 4 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL212614 | 79949 | 0 | None | 4 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
1324 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL413912 | 213098 | 0 | None | 5 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[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 | 10.1016/j.bmcl.2004.07.046 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
118722941 | 116240 | 0 | None | -1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | 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 | 116240 | 0 | None | -1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | 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 | ||
70660691 | 151588 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 814 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3963435 | 151588 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 814 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
10408 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||||
10408 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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.1c00095 | ||||
5329 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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.1c00095 | ||||
9941379 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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.1c00095 | ||||
CHEMBL2070241 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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.1c00095 | ||||
DB11653 | 719 | 28 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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.1c00095 | ||||
70660693 | 151787 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 894 | 17 | 13 | 11 | -3.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3965058 | 151787 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 894 | 17 | 13 | 11 | -3.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
168271934 | 190083 | 0 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 190083 | 0 | None | 1 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||
CHEMBL5094168 | 215477 | 0 | None | 42 | 4 | Human | 10.1 | pEC50 | = | 10.1 | Functional | 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 | ||||
118722938 | 116237 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | 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 | 116237 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | 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 | ||
168276507 | 190263 | 0 | None | 3 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 190263 | 0 | None | 3 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
168293710 | 192164 | 0 | None | 3 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 192164 | 0 | None | 3 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||
168295726 | 192403 | 0 | None | 6 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 192403 | 0 | None | 6 | 4 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm00018a005 | ||||
CHEMBL5090946 | 215283 | 0 | None | 4 | 4 | Human | 10.0 | pEC50 | = | 10.0 | Functional | 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 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
88878681 | 151714 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3964400 | 151714 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
10408 | 719 | 28 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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.8b00170 | ||||
5329 | 719 | 28 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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.8b00170 | ||||
9941379 | 719 | 28 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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.8b00170 | ||||
CHEMBL2070241 | 719 | 28 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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.8b00170 | ||||
DB11653 | 719 | 28 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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.8b00170 | ||||
CHEMBL2115441 | 209266 | 0 | None | 8 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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](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 | ||||
118722937 | 116236 | 0 | None | -2 | 4 | Mouse | 10.0 | pEC50 | = | 10 | 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 | 116236 | 0 | None | -2 | 4 | Mouse | 10.0 | pEC50 | = | 10 | 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 | ||
CHEMBL2372570 | 210269 | 0 | None | 1 | 4 | Human | 10.0 | pEC50 | = | 10 | 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 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm970018t | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm970018t | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm970018t | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm970018t | ||||
71456236 | 78888 | 0 | None | 31 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 814 | 24 | 10 | 9 | -0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)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)01052-1 | ||
CHEMBL2112918 | 78888 | 0 | None | 31 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 814 | 24 | 10 | 9 | -0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)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)01052-1 | ||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm030452x | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm030452x | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm030452x | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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/jm030452x | ||||
CHEMBL405087 | 212539 | 0 | None | 1 | 5 | Human | 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 | ||||
CHEMBL414965 | 213164 | 0 | None | -2 | 5 | Human | 10.0 | pEC50 | = | 10 | 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 | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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 | 209277 | 36 | None | -1 | 8 | Human | 10.0 | pEC50 | = | 10 | 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 | ||||
CHEMBL428615 | 213458 | 0 | None | -2 | 5 | Human | 10.0 | pEC50 | = | 10 | 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 | ||||
70660697 | 152033 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3967140 | 152033 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
88944290 | 149197 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 996 | 19 | 14 | 11 | -1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3943941 | 149197 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 996 | 19 | 14 | 11 | -1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL5091236 | 215297 | 0 | None | 48 | 4 | Human | 10.0 | pEC50 | = | 10.0 | Functional | 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 | ||||
118722936 | 116235 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | 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 | 116235 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | 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 | ||
88944294 | 147929 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 924 | 15 | 11 | 10 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3933740 | 147929 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 924 | 15 | 11 | 10 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
70660654 | 150152 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 830 | 17 | 12 | 11 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3951584 | 150152 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 830 | 17 | 12 | 11 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
168272660 | 190431 | 0 | None | 2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 190431 | 0 | None | 2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | 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 | ||
CHEMBL5077095 | 214477 | 0 | None | 25 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | ||||
CHEMBL5075712 | 214392 | 0 | None | 102 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | ||||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 9.9 | pEC50 | = | 9.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.9 | pEC50 | = | 9.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.9 | pEC50 | = | 9.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.9 | pEC50 | = | 9.9 | 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 | ||||
168270124 | 189953 | 0 | None | 2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | 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 | 189953 | 0 | None | 2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | 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 | ||
CHEMBL5075506 | 214377 | 0 | None | 512 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | 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 | ||||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 10.1021/acs.jmedchem.5b01894 | ||||
16133793 | 209277 | 36 | None | 1 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 10.1021/acs.jmedchem.5b01894 | ||||
44273719 | 209277 | 36 | None | 1 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL214332 | 209277 | 36 | None | 1 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 10.1021/acs.jmedchem.5b01894 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
11993702 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
11993702 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
5416 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
9272 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
DB11700 | 3591 | 18 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL2370964 | 209965 | 0 | None | 10 | 4 | Human | 9.8 | pEC50 | = | 9.8 | 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 | ||||
44310344 | 97327 | 0 | None | 3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 97327 | 0 | None | 3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 97327 | 0 | None | 3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | ||
CHEMBL2370964 | 209965 | 0 | None | 10 | 4 | Human | 9.8 | pEC50 | = | 9.8 | 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 | ||||
88878672 | 153597 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 952 | 21 | 14 | 12 | -3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3980632 | 153597 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 952 | 21 | 14 | 12 | -3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
89703080 | 151908 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 970 | 17 | 12 | 10 | -0.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
CHEMBL3966157 | 151908 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 970 | 17 | 12 | 10 | -0.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
1324 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL428801 | 213470 | 0 | None | -3 | 5 | Mouse | 9.7 | pEC50 | = | 9.7 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL263948 | 210597 | 1 | None | 36 | 4 | Human | 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](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 | ||||
168289457 | 191378 | 0 | None | 1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | 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 | 191378 | 0 | None | 1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | 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 | ||
88944286 | 143029 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 981 | 19 | 14 | 11 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3894840 | 143029 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 981 | 19 | 14 | 11 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
118722944 | 116243 | 0 | None | -2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 116243 | 0 | None | -2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
CHEMBL2115248 | 209262 | 0 | None | - | 1 | Human | 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](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(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)c1ccccc1 | 10.1021/jm970018t | ||||
CHEMBL3350299 | 211466 | 0 | None | - | 1 | Human | 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](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(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)c1ccccc1 | 10.1021/jm970018t | ||||
155542040 | 173076 | 0 | None | 151 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 173076 | 0 | None | 151 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
155564058 | 175332 | 0 | None | 16 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 175332 | 0 | None | 16 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
CHEMBL2369484 | 209625 | 0 | None | 1 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||||
88878636 | 152849 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 944 | 17 | 13 | 10 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
CHEMBL3974162 | 152849 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 944 | 17 | 13 | 10 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
162673830 | 183157 | 0 | None | 15 | 3 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 183157 | 0 | None | 15 | 3 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||||
CHEMBL405087 | 212539 | 0 | None | -2 | 5 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||||
168271237 | 190486 | 0 | None | 3 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | 190486 | 0 | None | 3 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | ||
CHEMBL3358537 | 211566 | 0 | None | 3 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||||
118722933 | 116233 | 0 | None | -4 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 116233 | 0 | None | -4 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||
42630327 | 155869 | 0 | None | 2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | 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 | 155869 | 0 | None | 2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | 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 | ||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||||
168281389 | 190920 | 0 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 190920 | 0 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
44413914 | 139516 | 0 | None | 12 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL379508 | 139516 | 0 | None | 12 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL3037885 | 210924 | 0 | None | 1 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 9.5 | pEC50 | = | 9.5 | 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/acsmedchemlett.5b00053 | ||||
16133793 | 209277 | 36 | None | 1 | 8 | Mouse | 9.5 | pEC50 | = | 9.5 | 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/acsmedchemlett.5b00053 | ||||
44273719 | 209277 | 36 | None | 1 | 8 | Mouse | 9.5 | pEC50 | = | 9.5 | 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/acsmedchemlett.5b00053 | ||||
CHEMBL214332 | 209277 | 36 | None | 1 | 8 | Mouse | 9.5 | pEC50 | = | 9.5 | 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/acsmedchemlett.5b00053 | ||||
CHEMBL1688107 | 208832 | 0 | None | -1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||||
CHEMBL393075 | 212460 | 0 | None | 6 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||||
CHEMBL2364555 | 209576 | 0 | None | - | 1 | 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]([C@@H](C)c2c[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/jm00023a012 | ||||
CHEMBL3350396 | 211477 | 0 | None | 60 | 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](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 | ||||
CHEMBL407098 | 212637 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSCC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)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 | ||||
155553683 | 174181 | 0 | None | 4 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
CHEMBL4547556 | 174181 | 0 | None | 4 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
155556954 | 174546 | 0 | None | 165 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | 174546 | 0 | None | 165 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
155563222 | 175289 | 0 | None | 16 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
CHEMBL4572994 | 175289 | 0 | None | 16 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
118722943 | 116242 | 0 | None | -2 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | 116242 | 0 | None | -2 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
70660695 | 154308 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 823 | 15 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3986675 | 154308 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 823 | 15 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3350329 | 211469 | 0 | None | - | 1 | 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]([C@H](C)c2c[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/jm970018t | ||||
10078903 | 68017 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | 68017 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
168284733 | 191622 | 0 | None | -1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 191622 | 0 | None | -1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
134466953 | 156656 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | 156656 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
CHEMBL1688107 | 208832 | 0 | None | -1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||||
118722930 | 116231 | 0 | None | -4 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | 116231 | 0 | None | -4 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | ||
44416057 | 81189 | 0 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215833 | 81189 | 0 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL406842 | 212622 | 0 | None | -3 | 5 | Mouse | 9.4 | pEC50 | = | 9.4 | 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](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 | ||||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44275650 | 94052 | 0 | None | 2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | 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 | 94052 | 0 | None | 2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | 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 | ||
CHEMBL2370906 | 209945 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=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](C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)c1c[nH]c2ccccc12 | 10.1021/jm00023a012 | ||||
44373197 | 119471 | 0 | None | 16 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 800 | 23 | 10 | 9 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)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)01052-1 | ||
CHEMBL345234 | 119471 | 0 | None | 16 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 800 | 23 | 10 | 9 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)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)01052-1 | ||
155549760 | 173875 | 0 | None | 7 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | 173875 | 0 | None | 7 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | ||
11158573 | 71117 | 0 | None | 2 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | 71117 | 0 | None | 2 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | ||
16132144 | 209277 | 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/jm0490843 | ||||
16133793 | 209277 | 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/jm0490843 | ||||
44273719 | 209277 | 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/jm0490843 | ||||
CHEMBL214332 | 209277 | 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/jm0490843 | ||||
CHEMBL5077144 | 214483 | 0 | None | 13 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | ||||
CHEMBL2115249 | 209263 | 0 | None | - | 1 | 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]([C@@H](C)c2c[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/jm970018t | ||||
CHEMBL2372859 | 210298 | 1 | None | -2 | 3 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=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)N[C@@H](CCCCN)C(N)=O | 10.1021/jm501027w | ||||
CHEMBL3358533 | 211565 | 0 | None | 3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||||
168278271 | 191113 | 0 | None | 5 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 191113 | 0 | None | 5 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | ||
CHEMBL405335 | 212554 | 0 | None | -2 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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[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 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00830-2 | ||||
CHEMBL2323795 | 209519 | 0 | None | 19 | 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)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 | ||||
162672755 | 183088 | 0 | None | 16 | 3 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 183088 | 0 | None | 16 | 3 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||
1324 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00459-6 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | ||||
44323031 | 168076 | 0 | None | 33 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL432565 | 168076 | 0 | None | 33 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
70660687 | 144908 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 800 | 16 | 12 | 10 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3910197 | 144908 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 800 | 16 | 12 | 10 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
132180598 | 157847 | 0 | None | 16 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 157847 | 0 | None | 16 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||
137647538 | 157960 | 0 | None | 891 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | 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 | 157960 | 0 | None | 891 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | 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 | ||
118722931 | 116232 | 0 | None | -4 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 116232 | 0 | None | -4 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||
118722942 | 116241 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 116241 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||
168283616 | 191237 | 0 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 191237 | 0 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | ||
16132144 | 209277 | 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 | 10.1021/jm010524p | ||||
16133793 | 209277 | 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 | 10.1021/jm010524p | ||||
44273719 | 209277 | 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 | 10.1021/jm010524p | ||||
CHEMBL214332 | 209277 | 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 | 10.1021/jm010524p | ||||
16132144 | 209277 | 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 | 10.1021/jm0303608 | ||||
16133793 | 209277 | 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 | 10.1021/jm0303608 | ||||
44273719 | 209277 | 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 | 10.1021/jm0303608 | ||||
CHEMBL214332 | 209277 | 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 | 10.1021/jm0303608 | ||||
11239907 | 133125 | 0 | None | 5 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 133125 | 0 | None | 5 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
162649653 | 180098 | 0 | None | 9 | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 180098 | 0 | None | 9 | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 2686 | 55 | None | -23 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
16132144 | 209277 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
16133793 | 209277 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
44273719 | 209277 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
CHEMBL214332 | 209277 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
155543031 | 173179 | 0 | None | 3 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 173179 | 0 | None | 3 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
155568641 | 176095 | 0 | None | 83 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 176095 | 0 | None | 83 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
1325 | 3598 | 14 | None | 3 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
6440621 | 3598 | 14 | None | 3 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
9898183 | 3598 | 14 | None | 3 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3422426 | 3598 | 14 | None | 3 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
101670969 | 168894 | 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 | 168894 | 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 | 168894 | 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 | 168894 | 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 | 168894 | 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 | 168894 | 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 | ||
CHEMBL5080784 | 214704 | 0 | None | 2 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | 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 | ||||
137639770 | 156922 | 0 | None | 6 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1650 | 51 | 23 | 22 | -4.1 | 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)CN[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.7b01295 | ||
CHEMBL4072387 | 156922 | 0 | None | 6 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1650 | 51 | 23 | 22 | -4.1 | 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)CN[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.7b01295 | ||
16132144 | 209277 | 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/jm701303z | ||||
16133793 | 209277 | 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/jm701303z | ||||
44273719 | 209277 | 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/jm701303z | ||||
CHEMBL214332 | 209277 | 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/jm701303z | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 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/jm049579s | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 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/jm049579s | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 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/jm049579s | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 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/jm049579s | ||||
155556466 | 174414 | 0 | None | 11 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 174414 | 0 | None | 11 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
118722940 | 116239 | 0 | None | 1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 116239 | 0 | None | 1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
132180597 | 156169 | 0 | None | 23 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 156169 | 0 | None | 23 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
118722925 | 116227 | 0 | None | 3 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 116227 | 0 | None | 3 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
11263053 | 68018 | 0 | None | 3 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 68018 | 0 | None | 3 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
137641398 | 158314 | 0 | None | 162 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | 158314 | 0 | None | 162 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||
CHEMBL3358542 | 211567 | 0 | None | -2 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(=O)NCCCC[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](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||||
CHEMBL5093939 | 215456 | 0 | None | 77 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||||
CHEMBL5090285 | 215251 | 0 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00830-2 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00830-2 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00830-2 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00830-2 | ||||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00459-6 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00459-6 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00459-6 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/s0960-894x(02)00459-6 | ||||
70660676 | 148378 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3937437 | 148378 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL5081077 | 214715 | 0 | None | 29 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||||
118722926 | 116228 | 0 | None | -6 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 116228 | 0 | None | -6 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
118722929 | 116230 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 116230 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
44400428 | 125675 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 125675 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
CHEMBL5094215 | 215479 | 0 | None | 15 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | 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 | ||||
118722939 | 116238 | 0 | None | -1 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 116238 | 0 | None | -1 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 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/jm9017866 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 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/jm9017866 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 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/jm9017866 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 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/jm9017866 | ||||
162654633 | 180642 | 0 | None | 29 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
CHEMBL4754987 | 180642 | 0 | None | 29 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
137660671 | 159216 | 0 | None | 812 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | 159216 | 0 | None | 812 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | ||
11491374 | 67618 | 0 | None | 4 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | 67618 | 0 | None | 4 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | ||
127035019 | 136434 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 136434 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
11423083 | 96837 | 0 | None | 3 | 4 | Mouse | 9.0 | pEC50 | = | 9 | 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 | 96837 | 0 | None | 3 | 4 | Mouse | 9.0 | pEC50 | = | 9 | 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 | ||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL412358 | 212984 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
CHEMBL319752 | 211220 | 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]2CSCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
CHEMBL3350330 | 211470 | 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]([C@@H](C)c2c[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/jm00023a012 | ||||
71461643 | 78887 | 0 | None | 194 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 799 | 22 | 9 | 8 | 0.1 | 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](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL2112917 | 78887 | 0 | None | 194 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 799 | 22 | 9 | 8 | 0.1 | 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](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL427814 | 213385 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | Cc1nc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CCC(=O)NCCCC[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 | ||||
132180653 | 175057 | 0 | None | 17 | 3 | Mouse | 9.0 | pEC50 | = | 9 | 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 | 175057 | 0 | None | 17 | 3 | Mouse | 9.0 | pEC50 | = | 9 | 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 | ||
70660680 | 149052 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3942841 | 149052 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
70660690 | 151488 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3962394 | 151488 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O | nan | ||
70660679 | 153017 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3975629 | 153017 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL5080489 | 214687 | 0 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | ||||
CHEMBL2323796 | 209520 | 0 | None | 79 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | 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(-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 | ||||
134463477 | 159250 | 0 | None | -3 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | 159250 | 0 | None | -3 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | ||
162666503 | 182228 | 0 | None | 16 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | 182228 | 0 | None | 16 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | ||
CHEMBL2370968 | 209969 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | 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)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 | 209969 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | 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)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 | ||||
118722927 | 116229 | 0 | None | -6 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | 116229 | 0 | None | -6 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | ||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | 209277 | 36 | None | 1 | 8 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | ||||
CHEMBL5087814 | 215117 | 0 | None | 4 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | ||||
127035019 | 136434 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 136434 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL503229 | 214161 | 0 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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/acs.jmedchem.7b01295 | ||||
CHEMBL2096742 | 209204 | 0 | None | -1 | 6 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | ||||
CHEMBL503229 | 214161 | 0 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
CHEMBL414778 | 213154 | 0 | None | 83 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
CHEMBL443071 | 213918 | 0 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
CHEMBL410404 | 212817 | 0 | None | -12 | 5 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | ||||
137660993 | 159445 | 0 | None | 13 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 159445 | 0 | None | 13 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | ||
CHEMBL5076315 | 214426 | 0 | None | 3 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | ||||
11613741 | 199280 | 0 | None | 223 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 555 | 8 | 1 | 5 | 4.7 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL590281 | 199280 | 0 | None | 223 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 555 | 8 | 1 | 5 | 4.7 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
11692334 | 200426 | 0 | None | 275 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 537 | 5 | 1 | 4 | 4.6 | O=C1C(Cc2n[nH]c3cc(F)ccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598214 | 200426 | 0 | None | 275 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 537 | 5 | 1 | 4 | 4.6 | O=C1C(Cc2n[nH]c3cc(F)ccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
11685018 | 200691 | 0 | None | 204 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL599867 | 200691 | 0 | None | 204 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
46228690 | 201490 | 0 | None | 63 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1[C@@H](Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL605115 | 201490 | 0 | None | 63 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1[C@@H](Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
45487403 | 197433 | 0 | None | -158 | 5 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | 197433 | 0 | None | -158 | 5 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | ||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 8.8 | pEC50 | = | 8.8 | 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)00796-0 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 8.8 | pEC50 | = | 8.8 | 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)00796-0 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 8.8 | pEC50 | = | 8.8 | 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)00796-0 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 8.8 | pEC50 | = | 8.8 | 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)00796-0 | ||||
168285904 | 191668 | 0 | None | 117 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 191668 | 0 | None | 117 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||
44415914 | 139268 | 0 | None | -8 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL379054 | 139268 | 0 | None | -8 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44415918 | 141547 | 0 | None | 1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL384774 | 141547 | 0 | None | 1 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
162670795 | 182824 | 0 | None | 14 | 3 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | ||
CHEMBL4791112 | 182824 | 0 | None | 14 | 3 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | ||
16132144 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/j.bmcl.2006.04.050 | ||||
16133793 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/j.bmcl.2006.04.050 | ||||
44273719 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/j.bmcl.2006.04.050 | ||||
CHEMBL214332 | 209277 | 36 | None | -1 | 8 | Human | 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 | 10.1016/j.bmcl.2006.04.050 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
168296647 | 192473 | 0 | None | 158 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5208830 | 192473 | 0 | None | 158 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL2323789 | 209513 | 0 | None | 147 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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](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 | ||||
118722932 | 115516 | 0 | None | -8 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | 115516 | 0 | None | -8 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||
44277696 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | ||
44277696 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | ||
145990599 | 166853 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 166853 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | ||
25133556 | 188847 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | ||
CHEMBL506762 | 188847 | 0 | None | -7 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | ||
44277696 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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.2005.08.083 | ||
CHEMBL29582 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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.2005.08.083 | ||
CHEMBL78565 | 215878 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CCCCN[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)00459-6 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm970018t | ||||
73354641 | 89450 | 0 | None | -12 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 838 | 22 | 10 | 8 | 0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)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)01052-1 | ||
CHEMBL2371219 | 89450 | 0 | None | -12 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 838 | 22 | 10 | 8 | 0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)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)01052-1 | ||
44372933 | 119911 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | 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)01052-1 | ||
CHEMBL349298 | 119911 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | 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)01052-1 | ||
44277696 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 101203 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | ||
CHEMBL410404 | 212817 | 0 | None | -83 | 5 | Human | 8.0 | pEC50 | = | 8 | 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 | ||||
155555217 | 174335 | 0 | None | -6 | 4 | Mouse | 8.0 | pEC50 | = | 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 | 174335 | 0 | None | -6 | 4 | Mouse | 8.0 | pEC50 | = | 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 | ||
44577523 | 188941 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | 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 | ||
CHEMBL508068 | 188941 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | 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 | ||
CHEMBL488355 | 214073 | 0 | None | 3 | 3 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||||
10886436 | 119155 | 0 | None | -204 | 5 | Mouse | 7.0 | pEC50 | = | 7 | 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 | 119155 | 0 | None | -204 | 5 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||
1674 | 1215 | 7 | None | -35 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
5311058 | 1215 | 7 | None | -35 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL507214 | 1215 | 7 | None | -35 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL411400 | 212881 | 0 | None | -707 | 5 | Human | 7.0 | pEC50 | = | 7 | 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 | ||||
CHEMBL415200 | 213177 | 0 | None | -11 | 5 | Human | 7.0 | pEC50 | = | 7 | 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 | ||||
155558348 | 175034 | 0 | None | -5 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | 175034 | 0 | None | -5 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||
CHEMBL203602 | 209158 | 0 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | 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 | ||||
118735102 | 118800 | 0 | None | -20 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | 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 | 118800 | 0 | None | -20 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | 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 | ||
162666162 | 182378 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -1.3 | CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=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)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4785157 | 182378 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -1.3 | CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=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)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
137635892 | 155903 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4060738 | 155903 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
46232224 | 201054 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 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 | 201054 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 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 | ||
CHEMBL406891 | 212624 | 0 | None | -457 | 5 | Human | 6.0 | pEC50 | = | 6 | 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 | ||||
CHEMBL411009 | 212855 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | 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(F)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 | ||||
164617040 | 185307 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4859395 | 185307 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL432895 | 213633 | 4 | None | -4 | 4 | Mouse | 5.0 | pEC50 | = | 5 | 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 | ||||
CHEMBL405791 | 212578 | 0 | None | -2344 | 4 | Human | 5.0 | pEC50 | = | 5 | 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 | ||||
CHEMBL411378 | 212879 | 0 | None | -18197 | 5 | Human | 5.0 | pEC50 | = | 5 | 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 | ||||
CHEMBL136066 | 208734 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL137774 | 208748 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL138959 | 208754 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=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]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL335790 | 211561 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL335807 | 211563 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL336027 | 211571 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL344489 | 211705 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=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]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
CHEMBL422994 | 213315 | 0 | None | - | 1 | Mouse | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm990190s | ||||
11753695 | 8391 | 7 | None | -707 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | 8391 | 7 | None | -707 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | ||
11328898 | 7958 | 22 | None | -85 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 7958 | 22 | None | -85 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 7958 | 22 | None | -85 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
164613912 | 184759 | 0 | None | -6 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | 184759 | 0 | None | -6 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||
CHEMBL184968 | 209050 | 0 | None | -7 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CCC(=O)OC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL451423 | 213966 | 0 | None | -79 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||||
44416060 | 81316 | 0 | None | -66 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215895 | 81316 | 0 | None | -66 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44569175 | 188820 | 0 | None | -52 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | ||
CHEMBL506272 | 188820 | 0 | None | -52 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | ||
11845440 | 138670 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | ||
CHEMBL377778 | 138670 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | ||
CHEMBL421028 | 213260 | 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](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 | ||||
168295644 | 192310 | 0 | None | -3 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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 | 192310 | 0 | None | -3 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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 | ||
44413832 | 78063 | 0 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL210009 | 78063 | 0 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
25128749 | 178468 | 0 | None | -354 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | ||
CHEMBL466380 | 178468 | 0 | None | -354 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | ||
145972289 | 164518 | 0 | None | -27 | 3 | Human | 7.0 | pEC50 | = | 7.0 | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4214826 | 164518 | 0 | None | -27 | 3 | Human | 7.0 | pEC50 | = | 7.0 | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
45487414 | 197279 | 0 | None | 4 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 197279 | 0 | None | 4 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
16157270 | 212551 | 14 | None | -724 | 7 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 212551 | 14 | None | -724 | 7 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||||
145988152 | 167042 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | ||
CHEMBL4288909 | 167042 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | ||
162661397 | 181524 | 0 | None | -1 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 181524 | 0 | None | -1 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 2686 | 55 | None | -23 | 8 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
162662360 | 181469 | 0 | None | 5 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 181469 | 0 | None | 5 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
137637332 | 156060 | 0 | None | - | 1 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 769 | 9 | 9 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4062633 | 156060 | 0 | None | - | 1 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 769 | 9 | 9 | 8 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
70695694 | 78412 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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)01052-1 | ||
CHEMBL2111251 | 78412 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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)01052-1 | ||
46885368 | 7954 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 7954 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
164613712 | 185347 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
CHEMBL4860080 | 185347 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
155562846 | 175168 | 0 | None | 6 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 175168 | 0 | None | 6 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
137634090 | 156297 | 0 | None | -7 | 6 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | 156297 | 0 | None | -7 | 6 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||
155562993 | 175229 | 0 | None | -1 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | 175229 | 0 | None | -1 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||
127047624 | 139894 | 0 | None | -31 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799408 | 139894 | 0 | None | -31 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.0 | pEC50 | = | 7.0 | 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/jm800291b | ||||
46885712 | 8069 | 0 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 8069 | 0 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 8069 | 0 | None | -63 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
45487412 | 196821 | 0 | None | 8 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 196821 | 0 | None | 8 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
44394695 | 123156 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 833 | 22 | 9 | 6 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361253 | 123156 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 833 | 22 | 9 | 6 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44394785 | 124038 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 865 | 22 | 9 | 7 | 3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363061 | 124038 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 865 | 22 | 9 | 7 | 3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL3600835 | 211814 | 0 | None | -33 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3600842 | 211817 | 0 | None | -12 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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)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 | ||||
45487406 | 196892 | 0 | None | 6 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 196892 | 0 | None | 6 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
45487416 | 197015 | 0 | None | 9 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 197015 | 0 | None | 9 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL3577980 | 211746 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | 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]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3600922 | 211823 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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)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 | ||||
46885815 | 7858 | 0 | None | -25 | 3 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 7858 | 0 | None | -25 | 3 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
46232227 | 199168 | 0 | None | -2 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 199168 | 0 | None | -2 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL3577977 | 211743 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3600841 | 211816 | 0 | None | -16 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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)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 | ||||
46228844 | 199415 | 0 | None | 26 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 587 | 10 | 1 | 7 | 4.3 | COc1ccc(N(C(=O)CN2C=CN(Cc3cccs3)C(=O)C(Cc3n[nH]c4ccccc34)(OC)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591195 | 199415 | 0 | None | 26 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 587 | 10 | 1 | 7 | 4.3 | COc1ccc(N(C(=O)CN2C=CN(Cc3cccs3)C(=O)C(Cc3n[nH]c4ccccc34)(OC)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
45487413 | 197249 | 0 | None | 1 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 197249 | 0 | None | 1 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
51350799 | 58799 | 0 | None | -3 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 58799 | 0 | None | -3 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 58799 | 0 | None | -3 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 58799 | 0 | None | -3 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL602650 | 215815 | 0 | None | -3 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||||
51346771 | 58224 | 0 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | 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 | 58224 | 0 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | 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 | ||
44275656 | 159466 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1031 | 15 | 11 | 9 | 1.5 | 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](Cc2ccc(C(F)(F)F)cc2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL410148 | 159466 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1031 | 15 | 11 | 9 | 1.5 | 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](Cc2ccc(C(F)(F)F)cc2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
137656180 | 159026 | 0 | None | -5 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 159026 | 0 | None | -5 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
90643803 | 111741 | 0 | None | -26 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 111741 | 0 | None | -26 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
1324 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16154396 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16197727 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
44285019 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
57514683 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
91898441 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL441738 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
DB04931 | 302 | 25 | None | 1 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
46228815 | 199360 | 0 | None | 52 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 8 | 1 | 6 | 4.1 | COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL590794 | 199360 | 0 | None | 52 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 8 | 1 | 6 | 4.1 | COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
127047853 | 139991 | 0 | None | -10 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 139991 | 0 | None | -10 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
CHEMBL526334 | 215679 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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)N1CCC[C@H]1C(=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 | ||||
44456964 | 156688 | 0 | None | -6 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 156688 | 0 | None | -6 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
CHEMBL3350327 | 211468 | 0 | None | -2 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||||
46232226 | 201081 | 0 | None | -14 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 201081 | 0 | None | -14 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
49862375 | 15037 | 0 | None | -97 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 15037 | 0 | None | -97 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
137654273 | 158774 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4094121 | 158774 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
137659513 | 159248 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4099096 | 159248 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL3287060 | 211297 | 0 | None | -20 | 5 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||||
45487405 | 197435 | 0 | None | 25 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 197435 | 0 | None | 25 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
137632016 | 156655 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4069415 | 156655 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
122178163 | 121255 | 0 | None | 2 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | 121255 | 0 | None | 2 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
44394584 | 96568 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 797 | 19 | 9 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL263047 | 96568 | 0 | None | -7 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 797 | 19 | 9 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44278195 | 98804 | 0 | None | -35 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 834 | 21 | 9 | 7 | 1.6 | CCCCC(=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(=O)NCC(N)=O)CCc2c(C)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL27848 | 98804 | 0 | None | -35 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 834 | 21 | 9 | 7 | 1.6 | CCCCC(=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(=O)NCC(N)=O)CCc2c(C)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
11847001 | 80226 | 0 | None | -138 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL213747 | 80226 | 0 | None | -138 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
162662213 | 181494 | 0 | None | -3 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 181494 | 0 | None | -3 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
45487296 | 197323 | 0 | None | 8 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 197323 | 0 | None | 8 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
45487288 | 197354 | 0 | None | 14 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 197354 | 0 | None | 14 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL2323792 | 209516 | 0 | None | -1 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||||
168288467 | 191704 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2Cl)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5196957 | 191704 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2Cl)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
122178164 | 121256 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | ||
CHEMBL3577993 | 121256 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | ||
168279074 | 190730 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2cccc(Cl)c2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5182595 | 190730 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2cccc(Cl)c2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
44275119 | 169018 | 0 | None | -37 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1033 | 15 | 11 | 10 | 1.2 | 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)C2(CCc3c(cccc3OCC)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL439361 | 169018 | 0 | None | -37 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1033 | 15 | 11 | 10 | 1.2 | 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)C2(CCc3c(cccc3OCC)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
145977650 | 163832 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4206406 | 163832 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
145976444 | 163961 | 0 | None | -6 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | 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 | 163961 | 0 | None | -6 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | 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 | ||
CHEMBL183733 | 209045 | 0 | None | 4 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=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 | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL50056 | 214117 | 2 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL3646891 | 212027 | 0 | None | -30 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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](CC(N)=O)NC1=O | nan | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||||
CHEMBL410217 | 212806 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=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 | ||||
44323034 | 206528 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL88537 | 206528 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL2371967 | 210162 | 0 | None | -275 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | ||||
155555947 | 174510 | 0 | None | 77 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 174510 | 0 | None | 77 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
44408287 | 75384 | 0 | None | -1148 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 75384 | 0 | None | -1148 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
44408190 | 96921 | 0 | None | -338 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 96921 | 0 | None | -338 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL389674 | 212431 | 0 | None | -6 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155531140 | 171616 | 0 | None | -4 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 171616 | 0 | None | -4 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
155556608 | 174473 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 556 | 16 | 9 | 7 | -2.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4554278 | 174473 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 556 | 16 | 9 | 7 | -2.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
44404528 | 72506 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 791 | 20 | 8 | 6 | 3.3 | CCCCC(=O)N[C@]1(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)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.083 | ||
CHEMBL199037 | 72506 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 791 | 20 | 8 | 6 | 3.3 | CCCCC(=O)N[C@]1(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)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.083 | ||
9919056 | 72071 | 0 | None | -14 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 848 | 22 | 9 | 7 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL197695 | 72071 | 0 | None | -14 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 848 | 22 | 9 | 7 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
44404528 | 72506 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 791 | 20 | 8 | 6 | 3.3 | CCCCC(=O)N[C@]1(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)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL199037 | 72506 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 791 | 20 | 8 | 6 | 3.3 | CCCCC(=O)N[C@]1(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)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
44404525 | 168654 | 0 | None | -257 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 864 | 22 | 10 | 8 | 2.2 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL436329 | 168654 | 0 | None | -257 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 864 | 22 | 10 | 8 | 2.2 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
44413537 | 139545 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 739 | 10 | 10 | 7 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL379627 | 139545 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 739 | 10 | 10 | 7 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
137646617 | 157542 | 0 | None | 2 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | 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 | 157542 | 0 | None | 2 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | 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 | ||
44275175 | 168831 | 0 | None | -186 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1047 | 15 | 11 | 10 | 1.6 | 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)C2(CCc3c(cccc3OC(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL437822 | 168831 | 0 | None | -186 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1047 | 15 | 11 | 10 | 1.6 | 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)C2(CCc3c(cccc3OC(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL2371699 | 210106 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | 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](CCCN=C(N)N)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 | ||||
44413881 | 137591 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL375559 | 137591 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
16038121 | 106702 | 0 | None | 8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 697 | 10 | 10 | 7 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL3143817 | 106702 | 0 | None | 8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 697 | 10 | 10 | 7 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
44310259 | 161698 | 0 | None | -1 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
91932914 | 161698 | 0 | None | -1 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
CHEMBL413465 | 161698 | 0 | None | -1 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
122178154 | 121248 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 962 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)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 | ||
CHEMBL3577984 | 121248 | 0 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 962 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)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 | ||
44413831 | 78062 | 0 | None | -2 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL210008 | 78062 | 0 | None | -2 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
46228846 | 199391 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.3 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)(OC)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591041 | 199391 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.3 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)(OC)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
127046262 | 139818 | 0 | None | -23 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
CHEMBL3798912 | 139818 | 0 | None | -23 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
44416152 | 81096 | 0 | None | -154 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215576 | 81096 | 0 | None | -154 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44413876 | 79742 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL211699 | 79742 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
145973975 | 164655 | 0 | None | -11 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 164655 | 0 | None | -11 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
44413876 | 79742 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | ||
CHEMBL211699 | 79742 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | ||
CHEMBL50056 | 214117 | 2 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | 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/jm060384p | ||||
CHEMBL2323786 | 209510 | 0 | None | 2 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||||
71452716 | 78891 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.083 | ||
CHEMBL2112920 | 78891 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.083 | ||
71452716 | 78891 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL2112920 | 78891 | 0 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL3646885 | 212021 | 0 | None | -74 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=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](CC(N)=O)NC1=O | nan | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||||
11635265 | 200484 | 0 | None | 12 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 7 | 1 | 4 | 4.8 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598617 | 200484 | 0 | None | 12 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 7 | 1 | 4 | 4.8 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL3600736 | 211810 | 0 | None | -6 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44275265 | 161288 | 0 | None | -14 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1066 | 13 | 11 | 9 | 1.6 | 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)C2(CCc3ccc(Br)cc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL412174 | 161288 | 0 | None | -14 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1066 | 13 | 11 | 9 | 1.6 | 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)C2(CCc3ccc(Br)cc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL501394 | 214135 | 0 | None | -41 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||||
44277301 | 100854 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 854 | 21 | 9 | 7 | 2.0 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Cl)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29349 | 100854 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 854 | 21 | 9 | 7 | 2.0 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Cl)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
137634090 | 156297 | 0 | None | 2 | 6 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 156297 | 0 | None | 2 | 6 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL510270 | 215580 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | 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)N1C[C@H](NC(=N)N)C[C@H]1C(=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 | ||||
1338 | 3805 | 43 | None | -467 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL302703 | 210912 | 0 | None | -9 | 5 | Human | 5.8 | pEC50 | = | 5.8 | 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(N)=O | 10.1021/jm960840h | ||||
CHEMBL187125 | 209053 | 0 | None | -48 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
44394783 | 126371 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 847 | 23 | 9 | 6 | 4.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365044 | 126371 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 847 | 23 | 9 | 6 | 4.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
25129107 | 173775 | 0 | None | -120 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | ||
CHEMBL453734 | 173775 | 0 | None | -120 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | ||
CHEMBL302703 | 210912 | 0 | None | -45 | 5 | Mouse | 4.8 | pEC50 | = | 4.8 | 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(N)=O | 10.1021/jm010061n | ||||
CHEMBL2373991 | 210379 | 0 | None | -144 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(=O)O)NC1=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm049620r | ||||
CHEMBL317228 | 211198 | 0 | None | -3 | 4 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||||
44277300 | 101350 | 0 | None | -16 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 850 | 22 | 9 | 8 | 1.3 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OC)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29693 | 101350 | 0 | None | -16 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 850 | 22 | 9 | 8 | 1.3 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OC)C1 | 10.1016/s0960-894x(02)00830-2 | ||
44305712 | 102812 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 102812 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
145966490 | 164360 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 164360 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
CHEMBL2323799 | 209523 | 0 | None | 22 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL311750 | 211099 | 0 | None | 4 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(/N)NC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
155550083 | 173912 | 0 | None | -5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||
CHEMBL4540411 | 173912 | 0 | None | -5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||
46228660 | 200392 | 0 | None | 21 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598011 | 200392 | 0 | None | 21 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
162665266 | 182179 | 0 | None | -4 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 182179 | 0 | None | -4 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
73351850 | 89517 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1cccc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL2373212 | 89517 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1cccc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
44408155 | 140551 | 0 | None | -398 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | 140551 | 0 | None | -398 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | ||
122178155 | 121249 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CCc2ccccc2)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 | ||
CHEMBL3577985 | 121249 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CCc2ccccc2)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 | ||
CHEMBL106959 | 208472 | 0 | None | 2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||||
155545201 | 173445 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 173445 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
25133907 | 176722 | 0 | None | -53 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL460138 | 176722 | 0 | None | -53 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
11845813 | 139802 | 0 | None | 1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL379879 | 139802 | 0 | None | 1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL319922 | 211223 | 0 | None | -1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||||
25132525 | 176723 | 0 | None | -18 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | ||
CHEMBL460142 | 176723 | 0 | None | -18 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | ||
46228659 | 200391 | 0 | None | 20 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598010 | 200391 | 0 | None | 20 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
164627532 | 186606 | 0 | None | -35 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 186606 | 0 | None | -35 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
CHEMBL3600840 | 211815 | 0 | None | -7 | 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)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
11706338 | 201705 | 0 | None | 33 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237150 | 201705 | 0 | None | 33 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237166 | 201705 | 0 | None | 33 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL606399 | 201705 | 0 | None | 33 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
51346770 | 58225 | 0 | None | 29 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | 58225 | 0 | None | 29 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | ||
145964017 | 164039 | 0 | None | -2 | 4 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 164039 | 0 | None | -2 | 4 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
CHEMBL2323800 | 209524 | 0 | None | 39 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL3799094 | 212266 | 0 | None | -26 | 5 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL3350298 | 211465 | 0 | None | - | 1 | 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](CCCN=C(N)N)NC(=O)[C@@H]([C@H](C)c2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
CHEMBL194552 | 209097 | 0 | None | 1 | 2 | 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)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
162664463 | 182188 | 0 | None | -5 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 182188 | 0 | None | -5 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
155539056 | 172813 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 612 | 18 | 9 | 7 | -1.1 | 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](CC(C)C)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4513953 | 172813 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 612 | 18 | 9 | 7 | -1.1 | 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](CC(C)C)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
155568138 | 176023 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 586 | 17 | 10 | 8 | -3.1 | 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](CO)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4590028 | 176023 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 586 | 17 | 10 | 8 | -3.1 | 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](CO)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
155567887 | 176046 | 0 | None | -5 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 176046 | 0 | None | -5 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
53318436 | 58801 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 58801 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
44457034 | 97963 | 0 | None | - | 1 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 6 | 4 | 3 | 1.6 | N=C(N)NCCCC1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL272662 | 97963 | 0 | None | - | 1 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 6 | 4 | 3 | 1.6 | N=C(N)NCCCC1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL103817 | 208457 | 0 | None | -20 | 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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487289 | 197359 | 0 | None | 10 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 197359 | 0 | None | 10 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
46232225 | 201080 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 201080 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
45487407 | 196966 | 0 | None | 7 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 196966 | 0 | None | 7 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
CHEMBL318119 | 211208 | 0 | None | - | 1 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||||
25132524 | 176756 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL460349 | 176756 | 0 | None | -54 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
25133210 | 169455 | 0 | None | -190 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | ||
CHEMBL442829 | 169455 | 0 | None | -190 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | ||
CHEMBL503449 | 214164 | 0 | None | -32 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
CHEMBL343094 | 211695 | 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 | ||||
155549302 | 173801 | 0 | None | -1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 173801 | 0 | None | -1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
44408388 | 140321 | 0 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | 140321 | 0 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | ||
CHEMBL502300 | 214150 | 0 | None | -20 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL309213 | 211013 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
44359591 | 32073 | 0 | None | -3 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 32073 | 0 | None | -3 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
44277558 | 169407 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cccc(Br)c2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL442339 | 169407 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cccc(Br)c2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL2370695 | 209910 | 0 | None | 1 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
45487295 | 197372 | 0 | None | 9 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 197372 | 0 | None | 9 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
CHEMBL2304248 | 209483 | 0 | None | 2 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||||
11845444 | 80065 | 0 | None | 11 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL213026 | 80065 | 0 | None | 11 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL3577979 | 211745 | 0 | None | - | 1 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=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](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||||
46228813 | 201447 | 0 | None | 16 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 538 | 8 | 1 | 6 | 3.9 | COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL604911 | 201447 | 0 | None | 16 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 538 | 8 | 1 | 6 | 3.9 | COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL3646882 | 212019 | 0 | None | -35 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | ||||
CHEMBL3646890 | 212026 | 0 | None | -72 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCC(=O)NCC[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](CC(N)=O)NC1=O | nan | ||||
CHEMBL455826 | 214007 | 0 | None | -3 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
44372942 | 119755 | 0 | None | 6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 786 | 22 | 11 | 9 | -1.0 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL347864 | 119755 | 0 | None | 6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 786 | 22 | 11 | 9 | -1.0 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
44457021 | 97899 | 0 | None | 9 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL272439 | 97899 | 0 | None | 9 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
137646109 | 157911 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 683 | 8 | 7 | 6 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4084327 | 157911 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 683 | 8 | 7 | 6 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
137649203 | 157506 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 157506 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
155554244 | 174947 | 0 | None | 15 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 174947 | 0 | None | 15 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
11845630 | 139512 | 0 | None | -7 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL379490 | 139512 | 0 | None | -7 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
10373417 | 100803 | 0 | None | -301 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29317 | 100803 | 0 | None | -301 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
10373417 | 100803 | 0 | None | -301 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29317 | 100803 | 0 | None | -301 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
46885523 | 7801 | 0 | None | -263 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 493 | 4 | 1 | 6 | 3.4 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
CHEMBL1089461 | 7801 | 0 | None | -263 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 493 | 4 | 1 | 6 | 3.4 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
11635051 | 200394 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598021 | 200394 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL184326 | 209047 | 0 | None | -4 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | COP(=S)(N[C@@H](Cc1ccc(Cl)cc1)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)OC | 10.1016/j.bmcl.2004.07.046 | ||||
44413968 | 80227 | 0 | None | 57 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL213751 | 80227 | 0 | None | 57 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL2323797 | 209521 | 0 | None | 44 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
CHEMBL3287327 | 211308 | 0 | None | -7 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
137638218 | 156826 | 0 | None | -4 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 156826 | 0 | None | -4 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
145954673 | 162669 | 0 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 915 | 12 | 10 | 10 | -1.2 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4170160 | 162669 | 0 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 915 | 12 | 10 | 10 | -1.2 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
51350673 | 58798 | 0 | None | 1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 58798 | 0 | None | 1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 58798 | 0 | None | 1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 58798 | 0 | None | 1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
CHEMBL508501 | 214940 | 0 | None | -36 | 2 | Human | 4.7 | pEC50 | = | 4.7 | 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]2C[C@@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
CHEMBL432018 | 213628 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||||
25129105 | 177017 | 0 | None | -16 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | ||
CHEMBL463047 | 177017 | 0 | None | -16 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | ||
44278194 | 99368 | 0 | None | -8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 848 | 22 | 9 | 7 | 1.9 | CCCCC(=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(=O)NCC(N)=O)CCc2c(CC)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL282533 | 99368 | 0 | None | -8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 848 | 22 | 9 | 7 | 1.9 | CCCCC(=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(=O)NCC(N)=O)CCc2c(CC)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
71459896 | 78537 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL2112064 | 78537 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
122178165 | 121257 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2ccc3ccccc3c2)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.5b00184 | ||
CHEMBL3577994 | 121257 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2ccc3ccccc3c2)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.5b00184 | ||
CHEMBL3600921 | 211822 | 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](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 | ||||
44310243 | 169185 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 169185 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 169185 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
168270931 | 190048 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 579 | 8 | 2 | 6 | 5.4 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(CC(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5172102 | 190048 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 579 | 8 | 2 | 6 | 5.4 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(CC(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
44394626 | 65782 | 0 | None | -12 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 743 | 19 | 8 | 6 | 1.7 | CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL183476 | 65782 | 0 | None | -12 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 743 | 19 | 8 | 6 | 1.7 | CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44577510 | 188733 | 0 | None | 3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 188733 | 0 | None | 3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
44380007 | 97333 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1131 | 19 | 14 | 12 | -1.3 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCC(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL269338 | 97333 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1131 | 19 | 14 | 12 | -1.3 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCC(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL2114258 | 209250 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | 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](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
CHEMBL2371712 | 210107 | 0 | None | 1 | 4 | 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)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 | ||||
CHEMBL438920 | 213807 | 0 | None | 5 | 4 | 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](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 | ||||
CHEMBL413212 | 213053 | 0 | None | -109 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
155539948 | 172884 | 0 | None | 1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | 172884 | 0 | None | 1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||
155542149 | 173090 | 0 | None | 2 | 3 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | 173090 | 0 | None | 2 | 3 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||
155562237 | 175707 | 0 | None | 39 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | 175707 | 0 | None | 39 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||
44322959 | 156073 | 0 | None | 13 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL406276 | 156073 | 0 | None | 13 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
44322895 | 163368 | 0 | None | 3 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL419307 | 163368 | 0 | None | 3 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44323032 | 206602 | 0 | None | 6 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL89004 | 206602 | 0 | None | 6 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
70660698 | 143271 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
CHEMBL3896855 | 143271 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O | nan | ||
11308957 | 69391 | 0 | None | 1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | 69391 | 0 | None | 1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||
122184576 | 122426 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 122426 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
168285101 | 191642 | 0 | None | 85 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5195937 | 191642 | 0 | None | 85 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5078687 | 214578 | 0 | None | 4 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | ||||
44416106 | 141444 | 0 | None | -4 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL384176 | 141444 | 0 | None | -4 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
102096778 | 58804 | 0 | None | 5 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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)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 | 58804 | 0 | None | 5 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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)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 | 58804 | 0 | None | 5 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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)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 | 58804 | 0 | None | 5 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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)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 | 58804 | 0 | None | 5 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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)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 | ||
155555182 | 174319 | 0 | None | 2 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | 174319 | 0 | None | 2 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | ||
CHEMBL217584 | 209375 | 0 | None | 2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | 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 | ||||
90643804 | 111742 | 0 | None | -2 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | 111742 | 0 | None | -2 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | ||
11787684 | 70272 | 0 | None | 3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | 70272 | 0 | None | 3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | ||
90643802 | 111740 | 0 | None | -3 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | 111740 | 0 | None | -3 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||
168274920 | 190261 | 0 | None | 66 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 190261 | 0 | None | 66 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
122184910 | 122553 | 0 | None | -5 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 122553 | 0 | None | -5 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
CHEMBL2323787 | 209511 | 0 | None | 11 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
44373177 | 119829 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 804 | 22 | 10 | 8 | -0.0 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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)01052-1 | ||
CHEMBL348511 | 119829 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 804 | 22 | 10 | 8 | -0.0 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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)01052-1 | ||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
164609130 | 184425 | 0 | None | 1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 184425 | 0 | None | 1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
9867330 | 97839 | 0 | None | -125 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | ||
CHEMBL272099 | 97839 | 0 | None | -125 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | ||
155558598 | 174758 | 0 | None | 1 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | 174758 | 0 | None | 1 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||
44409240 | 74432 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL202699 | 74432 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
44415956 | 141954 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL387246 | 141954 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | ||
44409240 | 74432 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | ||
CHEMBL202699 | 74432 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | ||
44415956 | 141954 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL387246 | 141954 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
44305763 | 203084 | 0 | None | 1 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 203084 | 0 | None | 1 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
44413938 | 138937 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378446 | 138937 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
122178162 | 121254 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc2ccccc2)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.5b00184 | ||
CHEMBL3577991 | 121254 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc2ccccc2)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.5b00184 | ||
137662060 | 159203 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.2 | C[C@@H]1NC(=O)[C@H](CCC(=O)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.7b00856 | ||
CHEMBL4098651 | 159203 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 991 | 13 | 10 | 10 | -0.2 | C[C@@H]1NC(=O)[C@H](CCC(=O)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.7b00856 | ||
44305885 | 203086 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 203086 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
45487292 | 196850 | 0 | None | 4 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | 196850 | 0 | None | 4 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||
155551195 | 173940 | 0 | None | 38 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 173940 | 0 | None | 38 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||
137632948 | 156580 | 0 | None | 4 | 2 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 156580 | 0 | None | 4 | 2 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
137646802 | 157949 | 0 | None | 19 | 2 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
CHEMBL4084671 | 157949 | 0 | None | 19 | 2 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
44404527 | 135213 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 933 | 26 | 9 | 7 | 4.4 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2cc(CCC)cc(CCC)c2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL372274 | 135213 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 933 | 26 | 9 | 7 | 4.4 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2cc(CCC)cc(CCC)c2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
44408275 | 75417 | 0 | None | -363 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 75417 | 0 | None | -363 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | ||
CHEMBL320157 | 211224 | 0 | None | -2 | 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 | ||||
122178161 | 121253 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 962 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(c2ccccc2)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.5b00184 | ||
CHEMBL3577990 | 121253 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 962 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(c2ccccc2)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.5b00184 | ||
CHEMBL185869 | 209051 | 0 | None | -6 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCOC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
122184634 | 122431 | 0 | None | -1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600915 | 122431 | 0 | None | -1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL364359 | 211920 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
44457022 | 159702 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 499 | 6 | 1 | 3 | 5.9 | Cc1cccc2c1N(Cc1ccccc1)C(=O)C(Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O | 10.1021/jm701303z | ||
CHEMBL410435 | 159702 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 499 | 6 | 1 | 3 | 5.9 | Cc1cccc2c1N(Cc1ccccc1)C(=O)C(Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O | 10.1021/jm701303z | ||
CHEMBL361252 | 211832 | 0 | None | -51 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CN(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44415972 | 79881 | 0 | None | -154 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL212332 | 79881 | 0 | None | -154 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | ||
168268794 | 192786 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 4.5 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCOCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5176014 | 192786 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 4.5 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCOCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5221365 | 192786 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 4.5 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCOCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL3600912 | 211819 | 0 | None | -1 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
90643808 | 111745 | 0 | None | -21 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 111745 | 0 | None | -21 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||
CHEMBL405791 | 212578 | 0 | None | -5 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
CHEMBL3646892 | 212028 | 0 | None | -25 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | ||||
11592389 | 199390 | 0 | None | 6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 591 | 8 | 1 | 5 | 5.4 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591037 | 199390 | 0 | None | 6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 591 | 8 | 1 | 5 | 5.4 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
164612091 | 184597 | 0 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848905 | 184597 | 0 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
46232223 | 199162 | 0 | None | 1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 199162 | 0 | None | 1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
CHEMBL602651 | 215816 | 0 | None | -25 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||||
71459938 | 78979 | 0 | None | -4 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | 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 | 78979 | 0 | None | -4 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | 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 | ||
CHEMBL104397 | 208461 | 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)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 | ||||
CHEMBL3600834 | 211813 | 0 | None | -7 | 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](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 | ||||
44305806 | 102273 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 435 | 12 | 5 | 3 | 3.2 | NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL303283 | 102273 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 435 | 12 | 5 | 3 | 3.2 | NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
118735100 | 118798 | 0 | None | -26 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 118798 | 0 | None | -26 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
11215553 | 8392 | 0 | None | -60 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
CHEMBL1093305 | 8392 | 0 | None | -60 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
CHEMBL264190 | 210606 | 1 | None | -14 | 8 | Human | 6.6 | pEC50 | = | 6.6 | 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/jm960840h | ||||
164616687 | 184622 | 0 | None | -11 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | 184622 | 0 | None | -11 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||
CHEMBL104052 | 208460 | 0 | None | 1 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||||
122184637 | 122434 | 0 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 122434 | 0 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
44394784 | 126293 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 861 | 23 | 9 | 7 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365019 | 126293 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 861 | 23 | 9 | 7 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44380006 | 156369 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1145 | 19 | 14 | 12 | -0.9 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL406614 | 156369 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1145 | 19 | 14 | 12 | -0.9 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL2371590 | 210098 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)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/jm020355o | ||||
44278071 | 100442 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 704 | 20 | 9 | 7 | -0.6 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29056 | 100442 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 704 | 20 | 9 | 7 | -0.6 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | ||
44456957 | 98036 | 0 | None | 8 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 1 | 2 | 5.2 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL273044 | 98036 | 0 | None | 8 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 1 | 2 | 5.2 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
25128748 | 189989 | 0 | None | -61 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | ||
CHEMBL517108 | 189989 | 0 | None | -61 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | ||
CHEMBL500516 | 214115 | 0 | None | -10 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||||
164625186 | 185965 | 0 | None | -2 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 185965 | 0 | None | -2 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
164628926 | 186511 | 0 | None | -1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 186511 | 0 | None | -1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
11846673 | 79992 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL212766 | 79992 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44335147 | 4590 | 0 | None | -4 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 4590 | 0 | None | -4 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
CHEMBL50056 | 214117 | 2 | None | -281 | 7 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||||
44413880 | 77944 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | ||
CHEMBL209587 | 77944 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | ||
137656489 | 159708 | 0 | None | -1 | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 159708 | 0 | None | -1 | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
CHEMBL3287329 | 211309 | 0 | None | -5 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||||
155547842 | 173694 | 0 | None | 50 | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 173694 | 0 | None | 50 | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
127047913 | 139922 | 0 | None | -33 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 139922 | 0 | None | -33 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
162667883 | 182412 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
CHEMBL4785711 | 182412 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
44457067 | 97740 | 0 | None | -47 | 5 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 97740 | 0 | None | -47 | 5 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL589308 | 215797 | 0 | None | -29 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||||
51351024 | 58800 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 58800 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 58800 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 58800 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
71456245 | 78974 | 0 | None | -2 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | 78974 | 0 | None | -2 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
145988867 | 167101 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | ||
CHEMBL4289983 | 167101 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | ||
145971389 | 164631 | 0 | None | -3 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 164631 | 0 | None | -3 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
CHEMBL3646884 | 212020 | 0 | None | -39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||||
122184914 | 122557 | 0 | None | 6 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | 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 | 122557 | 0 | None | 6 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | 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 | ||
54584302 | 60810 | 0 | None | -34 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL1761874 | 60810 | 0 | None | -34 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
155560756 | 175083 | 0 | None | -5 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 175083 | 0 | None | -5 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
122178156 | 121146 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2NC(=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 | ||
CHEMBL3576882 | 121146 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2NC(=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 | ||
122178157 | 121250 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | ||
CHEMBL3577986 | 121250 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | ||
CHEMBL322889 | 211233 | 0 | None | -3 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||||
CHEMBL309869 | 211017 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
122184910 | 122553 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 122553 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
CHEMBL1775066 | 208879 | 0 | None | 11 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | 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 | ||||
145948912 | 167483 | 0 | None | 2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 167483 | 0 | None | 2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
CHEMBL3646889 | 212025 | 0 | None | -31 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCNC(=O)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](CCC(N)=O)NC1=O | nan | ||||
127046235 | 139636 | 0 | None | -32 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 139636 | 0 | None | -32 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
10483153 | 60809 | 0 | None | -53 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 60809 | 0 | None | -53 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
44408276 | 75505 | 0 | None | -478 | 4 | Human | 5.6 | pEC50 | = | 5.6 | 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 | 75505 | 0 | None | -478 | 4 | Human | 5.6 | pEC50 | = | 5.6 | 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 | ||
137635794 | 156249 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4064881 | 156249 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL105113 | 208464 | 0 | None | -4 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||||
145959370 | 162005 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 959 | 14 | 11 | 11 | -2.3 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4159541 | 162005 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 959 | 14 | 11 | 11 | -2.3 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
137640194 | 156957 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1043 | 14 | 11 | 11 | -1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL4072797 | 156957 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1043 | 14 | 11 | 11 | -1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
44413577 | 139524 | 0 | None | 5 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 10 | 10 | 7 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL379531 | 139524 | 0 | None | 5 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 10 | 10 | 7 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL524861 | 215621 | 0 | None | -11 | 4 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
162650385 | 180069 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 180069 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
44379730 | 96642 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1095 | 19 | 14 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL263607 | 96642 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1095 | 19 | 14 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
44359589 | 31477 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | 31477 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||
122184912 | 122556 | 0 | None | 1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 122556 | 0 | None | 1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
45487411 | 197043 | 0 | None | 10 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 197043 | 0 | None | 10 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
44373317 | 119656 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 787 | 22 | 9 | 9 | 0.0 | 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](Cc1csc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL346930 | 119656 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 787 | 22 | 9 | 9 | 0.0 | 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](Cc1csc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL3600920 | 211821 | 0 | None | -10 | 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](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 | ||||
45487291 | 197371 | 0 | None | 6 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 197371 | 0 | None | 6 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
133053557 | 163704 | 0 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4204975 | 163704 | 0 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44413829 | 78064 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL210011 | 78064 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL2371966 | 210161 | 0 | None | -616 | 4 | 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]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
15603023 | 97962 | 0 | None | -14 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 97962 | 0 | None | -14 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
CHEMBL319871 | 211222 | 0 | None | -2 | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||||
CHEMBL2364550 | 209575 | 0 | None | - | 1 | 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]([C@H](C)c2c[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/jm970018t | ||||
54587278 | 60816 | 0 | None | -831 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 60816 | 0 | None | -831 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
132180599 | 156891 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL4072129 | 156891 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL448536 | 213957 | 0 | None | -100 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||||
44305815 | 202703 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 440 | 8 | 4 | 2 | 4.2 | Cc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)c1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL61681 | 202703 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 440 | 8 | 4 | 2 | 4.2 | Cc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)c1 | 10.1016/s0960-894x(03)00318-4 | ||
46232221 | 199167 | 0 | None | 1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 199167 | 0 | None | 1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
CHEMBL2370696 | 209911 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm010215z | ||||
1338 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | ||
11613526 | 200486 | 0 | None | 23 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598631 | 200486 | 0 | None | 23 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 537 | 8 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
137636677 | 156098 | 0 | None | 75 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | 156098 | 0 | None | 75 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
164626210 | 186488 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 186488 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
164627732 | 186492 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 186492 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
44405832 | 133582 | 0 | None | -14 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 909 | 21 | 8 | 7 | 2.7 | CCCCC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/j.bmcl.2005.08.083 | ||
CHEMBL371215 | 133582 | 0 | None | -14 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 909 | 21 | 8 | 7 | 2.7 | CCCCC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/j.bmcl.2005.08.083 | ||
44277558 | 169407 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cccc(Br)c2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL442339 | 169407 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cccc(Br)c2C1 | 10.1016/s0960-894x(02)00830-2 | ||
164612768 | 184717 | 0 | None | -47 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | 184717 | 0 | None | -47 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||
44278193 | 168435 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 862 | 22 | 9 | 7 | 2.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2C(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL434966 | 168435 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 862 | 22 | 9 | 7 | 2.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2C(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
46228726 | 200489 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598643 | 200489 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
11599302 | 199367 | 0 | None | -66 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 555 | 8 | 1 | 5 | 4.4 | COC1(Cc2n[nH]c3ccccc23)C(=O)N(CC(=O)N(c2ccc(F)cc2)C(C)C)C=CN(c2ccccc2)C1=O | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL590841 | 199367 | 0 | None | -66 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 555 | 8 | 1 | 5 | 4.4 | COC1(Cc2n[nH]c3ccccc23)C(=O)N(CC(=O)N(c2ccc(F)cc2)C(C)C)C=CN(c2ccccc2)C1=O | 10.1016/j.bmc.2010.01.049 | ||
145993132 | 166935 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 636 | 14 | 5 | 5 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4286957 | 166935 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 636 | 14 | 5 | 5 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL2370964 | 209965 | 0 | None | 10 | 4 | 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)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.7b01295 | ||||
163196518 | 192127 | 2 | None | 1 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | 192127 | 2 | None | 1 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | ||
168295131 | 192240 | 0 | None | 7 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 192240 | 0 | None | 7 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
44413879 | 138900 | 0 | None | 50 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378293 | 138900 | 0 | None | 50 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
73347133 | 89470 | 0 | None | 7 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 960 | 13 | 10 | 9 | 0.9 | 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]2c3ccccc3CN2C1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL2371903 | 89470 | 0 | None | 7 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 960 | 13 | 10 | 9 | 0.9 | 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]2c3ccccc3CN2C1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL2364550 | 209575 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | 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]([C@H](C)c2c[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/jm00023a012 | ||||
CHEMBL413439 | 213068 | 0 | None | 3 | 4 | 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)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 | ||||
CHEMBL407845 | 212685 | 0 | None | 1000 | 2 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||||
CHEMBL195468 | 209100 | 0 | None | 2 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||||
CHEMBL3600736 | 211810 | 0 | None | -6 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL2371962 | 210157 | 0 | None | -8 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL320459 | 211226 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | 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]2CSCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
11181928 | 166155 | 0 | None | 1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | 166155 | 0 | None | 1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||
44322812 | 112380 | 0 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL329586 | 112380 | 0 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
137641157 | 157062 | 0 | None | 24 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | 157062 | 0 | None | 24 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | ||
CHEMBL5090670 | 215275 | 0 | None | -3 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | ||||
CHEMBL5091245 | 215298 | 0 | None | 5 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | ||||
CHEMBL3600912 | 211819 | 0 | None | -1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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](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 | ||||
44415920 | 80369 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL214410 | 80369 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
168277543 | 190673 | 0 | None | 102 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 190673 | 0 | None | 102 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
44415919 | 141586 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL385000 | 141586 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
11846669 | 80275 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL213956 | 80275 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL2323798 | 209522 | 0 | None | 13 | 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](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 | ||||
73350149 | 89451 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL2371220 | 89451 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL406842 | 212622 | 0 | None | -275 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||||
155565321 | 175574 | 0 | None | 3 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 175574 | 0 | None | 3 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
155561730 | 175651 | 0 | None | 19 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 175651 | 0 | None | 19 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
1334 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | ||||
16133814 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | ||||
CHEMBL437050 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | ||||
CHEMBL227239 | 209449 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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](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 | ||||
164610489 | 184553 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 184553 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
164615813 | 185142 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 185142 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
164623811 | 185898 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 185898 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
1334 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1500 | 7 | None | -1 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
155566074 | 175732 | 0 | None | 13 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 175732 | 0 | None | 13 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
145955736 | 162551 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1331 | 22 | 17 | 17 | -1.1 | 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](N[C@@H](Cc2ccc(O)cc2)C(N)=O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4168324 | 162551 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1331 | 22 | 17 | 17 | -1.1 | 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](N[C@@H](Cc2ccc(O)cc2)C(N)=O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL50056 | 214117 | 2 | None | -281 | 7 | Mouse | 5.5 | pEC50 | = | 5.5 | 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/acsmedchemlett.9b00198 | ||||
CHEMBL407845 | 212685 | 0 | None | -1000 | 2 | Human | 5.5 | pEC50 | = | 5.5 | 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 | ||||
155538874 | 172788 | 0 | None | -1 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 172788 | 0 | None | -1 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
CHEMBL317210 | 211197 | 0 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487300 | 197357 | 0 | None | 7 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 197357 | 0 | None | 7 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
25132864 | 172600 | 0 | None | -61 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | ||
CHEMBL449050 | 172600 | 0 | None | -61 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | ||
137643266 | 158372 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1552 | 46 | 23 | 18 | -2.2 | CC(C)C[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](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(=O)O | 10.1021/acs.jmedchem.7b01295 | ||
CHEMBL4089770 | 158372 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1552 | 46 | 23 | 18 | -2.2 | CC(C)C[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](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(=O)O | 10.1021/acs.jmedchem.7b01295 | ||
44379728 | 96904 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1081 | 19 | 14 | 12 | -2.4 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL265804 | 96904 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1081 | 19 | 14 | 12 | -2.4 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
68342929 | 147612 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 825 | 13 | 12 | 9 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | ||
CHEMBL3931237 | 147612 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 825 | 13 | 12 | 9 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | ||
CHEMBL89270 | 215897 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 10.1016/s0960-894x(03)00552-3 | ||||
45487410 | 197436 | 0 | None | 12 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 197436 | 0 | None | 12 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
162654478 | 180583 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4754305 | 180583 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
137657206 | 159669 | 0 | None | -1 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 159669 | 0 | None | -1 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
44379727 | 141481 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1095 | 19 | 14 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
CHEMBL384392 | 141481 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1095 | 19 | 14 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCCC(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||
122184578 | 122428 | 0 | None | -19 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600839 | 122428 | 0 | None | -19 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
46228848 | 199397 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 551 | 8 | 0 | 6 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3nn(C)c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591061 | 199397 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 551 | 8 | 0 | 6 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3nn(C)c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
46228849 | 199409 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 595 | 10 | 0 | 7 | 4.8 | CCn1nc(CC2(OC)C(=O)N(CC(=O)N(c3ccc(OC)cc3)C(C)C)C=CN(c3ccccc3)C2=O)c2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591123 | 199409 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 595 | 10 | 0 | 7 | 4.8 | CCn1nc(CC2(OC)C(=O)N(CC(=O)N(c3ccc(OC)cc3)C(C)C)C=CN(c3ccccc3)C2=O)c2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
46228847 | 199411 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 620 | 11 | 1 | 7 | 6.0 | O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591132 | 199411 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 620 | 11 | 1 | 7 | 6.0 | O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
46228763 | 200184 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL596602 | 200184 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
46228850 | 200425 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 544 | 9 | 2 | 6 | 3.9 | O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(O)Oc1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598208 | 200425 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 544 | 9 | 2 | 6 | 3.9 | O=C(CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)CP(=O)(O)Oc1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
46228725 | 200455 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598442 | 200455 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@@H](Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
46228841 | 200523 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 503 | 8 | 0 | 4 | 4.8 | COc1ccc(N(C(=O)CN2C=CN(C3CCCCC3)C(=O)C(Cc3ccccc3)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598831 | 200523 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 503 | 8 | 0 | 4 | 4.8 | COc1ccc(N(C(=O)CN2C=CN(C3CCCCC3)C(=O)C(Cc3ccccc3)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
46228843 | 201643 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 4.6 | COc1ccc(N(C(=O)CN2C=CN(C3CCCCC3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL605970 | 201643 | 0 | None | 1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 543 | 8 | 1 | 5 | 4.6 | COc1ccc(N(C(=O)CN2C=CN(C3CCCCC3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
44415912 | 139224 | 0 | None | -199 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL378837 | 139224 | 0 | None | -199 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
140907815 | 190176 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.3 | Cc1ccc(Cn2ccnc2NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)c(N2CCC(C(=O)O)CC2)c1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5174101 | 190176 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 579 | 7 | 2 | 6 | 5.3 | Cc1ccc(Cn2ccnc2NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)c(N2CCC(C(=O)O)CC2)c1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL2323790 | 209514 | 0 | None | 7 | 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](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 | ||||
CHEMBL510687 | 215585 | 0 | None | -36 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 6.5 | pEC50 | = | 6.5 | 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)00318-4 | ||||
16133793 | 209277 | 36 | None | 1 | 8 | Mouse | 6.5 | pEC50 | = | 6.5 | 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)00318-4 | ||||
44273719 | 209277 | 36 | None | 1 | 8 | Mouse | 6.5 | pEC50 | = | 6.5 | 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)00318-4 | ||||
CHEMBL214332 | 209277 | 36 | None | 1 | 8 | Mouse | 6.5 | pEC50 | = | 6.5 | 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)00318-4 | ||||
CHEMBL105113 | 208464 | 0 | None | -4 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||||
45487290 | 196778 | 0 | None | 12 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 196778 | 0 | None | 12 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
44413913 | 138671 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377779 | 138671 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
44457036 | 156399 | 2 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 356 | 4 | 1 | 2 | 3.6 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL406651 | 156399 | 2 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 356 | 4 | 1 | 2 | 3.6 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
122179552 | 121485 | 0 | None | -5 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 121485 | 0 | None | -5 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
51351151 | 58803 | 0 | None | 2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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)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 | 58803 | 0 | None | 2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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)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 | 58803 | 0 | None | 2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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)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 | 58803 | 0 | None | 2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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)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 | ||
CHEMBL91957 | 215903 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL2371969 | 210164 | 0 | None | -1000 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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](C(C)C)NC1=O | 10.1021/jm0614275 | ||||
137653704 | 158631 | 0 | None | 2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 158631 | 0 | None | 2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
164619151 | 185552 | 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 | 185552 | 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 | ||
164618743 | 185588 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863637 | 185588 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44413576 | 78154 | 0 | None | 3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 725 | 10 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL210399 | 78154 | 0 | None | 3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 725 | 10 | 10 | 7 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL102391 | 208453 | 0 | None | -2 | 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](CCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
70660688 | 143696 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 783 | 13 | 10 | 9 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
CHEMBL3900322 | 143696 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 783 | 13 | 10 | 9 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
CHEMBL431242 | 213622 | 0 | None | -1 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||||
44277422 | 101107 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cc(Br)ccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29511 | 101107 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cc(Br)ccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
140907705 | 192816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 521 | 6 | 1 | 5 | 5.7 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCCCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5181408 | 192816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 521 | 6 | 1 | 5 | 5.7 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCCCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5221511 | 192816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 521 | 6 | 1 | 5 | 5.7 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCCCC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL413260 | 213057 | 0 | None | -5 | 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](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 | ||||
44456986 | 158610 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 421 | 6 | 2 | 3 | 4.3 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/jm701303z | ||
CHEMBL409222 | 158610 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 421 | 6 | 2 | 3 | 4.3 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/jm701303z | ||
137646333 | 157920 | 0 | None | 13 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1756 | 21 | 19 | 21 | -2.5 | 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)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 | ||
CHEMBL4084386 | 157920 | 0 | None | 13 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1756 | 21 | 19 | 21 | -2.5 | 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)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 | ||
44394658 | 168335 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 758 | 18 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL434329 | 168335 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 758 | 18 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
164613261 | 184601 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848948 | 184601 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL411378 | 212879 | 0 | None | -63 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||||
46228764 | 200222 | 0 | None | 35 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL596804 | 200222 | 0 | None | 35 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)[C@H](Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL2371963 | 210158 | 0 | None | -398 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
46885415 | 8277 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 4 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)[C@H]2CN(C3CCC3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1092571 | 8277 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 4 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)[C@H]2CN(C3CCC3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
137646614 | 157536 | 0 | None | 8 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 157536 | 0 | None | 8 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
CHEMBL80803 | 215883 | 0 | None | 9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
6918813 | 131369 | 3 | None | -77 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 131369 | 3 | None | -77 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
137640434 | 157017 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4073480 | 157017 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
164610096 | 184859 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852476 | 184859 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44416135 | 80182 | 0 | None | -162 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL213566 | 80182 | 0 | None | -162 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL321870 | 211230 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||||
122184575 | 122425 | 0 | None | -1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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)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 | 122425 | 0 | None | -1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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)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 | ||
155554827 | 174617 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 174617 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
46885816 | 7904 | 0 | None | -28 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 4 | 1 | 3 | 4.4 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL1090161 | 7904 | 0 | None | -28 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 4 | 1 | 3 | 4.4 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL3601426 | 211824 | 0 | None | -24 | 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](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 | ||||
45487408 | 196852 | 0 | None | 5 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 196852 | 0 | None | 5 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
CHEMBL430489 | 213618 | 0 | None | -3 | 3 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||||
122179551 | 121484 | 0 | None | 1 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 121484 | 0 | None | 1 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
44275654 | 157332 | 0 | None | -5 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 975 | 13 | 11 | 9 | 0.5 | 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)C2(Cc3ccccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL407754 | 157332 | 0 | None | -5 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 975 | 13 | 11 | 9 | 0.5 | 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)C2(Cc3ccccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
137634306 | 156320 | 0 | None | 1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
CHEMBL4065669 | 156320 | 0 | None | 1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
46228888 | 199485 | 0 | None | 8 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 481 | 6 | 1 | 4 | 3.2 | CC(C)N(C(=O)CN1C=CN(C)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591717 | 199485 | 0 | None | 8 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 481 | 6 | 1 | 4 | 3.2 | CC(C)N(C(=O)CN1C=CN(C)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL2369131 | 209591 | 0 | None | 3 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||||
44394654 | 123971 | 0 | None | -9 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 775 | 20 | 8 | 7 | 1.7 | CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL362879 | 123971 | 0 | None | -9 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 775 | 20 | 8 | 7 | 1.7 | CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
137659394 | 159532 | 0 | None | 12 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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)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]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 | ||
CHEMBL4102353 | 159532 | 0 | None | 12 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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)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]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 | ||
CHEMBL491870 | 214075 | 0 | None | -95 | 5 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||||
46232220 | 201052 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 201052 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
137651782 | 157491 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4079580 | 157491 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
137645549 | 157758 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4082615 | 157758 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44394583 | 122343 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 771 | 18 | 8 | 6 | 2.4 | CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359927 | 122343 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 771 | 18 | 8 | 6 | 2.4 | CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
168295534 | 193032 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 7 | 2 | 6 | 4.4 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(N)=O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5208441 | 193032 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 7 | 2 | 6 | 4.4 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(N)=O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5222881 | 193032 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 7 | 2 | 6 | 4.4 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(N)=O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
137636965 | 156214 | 0 | None | 5 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 156214 | 0 | None | 5 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
11847312 | 79760 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL211798 | 79760 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
46885524 | 7802 | 0 | None | -186 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL1089462 | 7802 | 0 | None | -186 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL1204054 | 7802 | 0 | None | -186 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
122178160 | 121252 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 988 | 10 | 9 | 10 | -1.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C2Cc3ccccc3CN2C(=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 | ||
CHEMBL3577989 | 121252 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 988 | 10 | 9 | 10 | -1.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C2Cc3ccccc3CN2C(=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 | ||
25132867 | 172496 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | ||
CHEMBL448337 | 172496 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | ||
46228814 | 199374 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 617 | 10 | 2 | 6 | 4.9 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3cc[nH]n3)(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL590955 | 199374 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 617 | 10 | 2 | 6 | 4.9 | COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3cc[nH]n3)(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
168273822 | 190568 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | 190568 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | ||
90643806 | 111744 | 0 | None | -6 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | 111744 | 0 | None | -6 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | ||
71458041 | 78889 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 776 | 22 | 10 | 9 | -0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)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)01052-1 | ||
CHEMBL2112919 | 78889 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 776 | 22 | 10 | 9 | -0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)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)01052-1 | ||
155544214 | 173329 | 0 | None | -1 | 3 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | 173329 | 0 | None | -1 | 3 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | ||
88944295 | 142973 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 910 | 15 | 11 | 10 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3894392 | 142973 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 910 | 15 | 11 | 10 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
137631599 | 156524 | 0 | None | 16 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | 156524 | 0 | None | 16 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | ||
CHEMBL264190 | 210606 | 1 | None | -14 | 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 | ||||
44413830 | 77948 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL209622 | 77948 | 0 | None | 1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
1323 | 2686 | 55 | None | -23 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL4299619 | 213593 | 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 | ||||
137642298 | 158246 | 0 | None | 11 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1469 | 44 | 19 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | ||
CHEMBL4088516 | 158246 | 0 | None | 11 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1469 | 44 | 19 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | ||
44322987 | 96730 | 0 | None | 8 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL264306 | 96730 | 0 | None | 8 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
137651074 | 157467 | 0 | None | -4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1511 | 43 | 21 | 17 | -2.2 | CC(C)C[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](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/acs.jmedchem.7b01295 | ||
CHEMBL4079302 | 157467 | 0 | None | -4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1511 | 43 | 21 | 17 | -2.2 | CC(C)C[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](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/acs.jmedchem.7b01295 | ||
168277258 | 190708 | 0 | None | 10 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 190708 | 0 | None | 10 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
137633115 | 156583 | 0 | None | -1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1529 | 44 | 21 | 18 | -2.5 | CSCC[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](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/acs.jmedchem.7b01295 | ||
CHEMBL4068654 | 156583 | 0 | None | -1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1529 | 44 | 21 | 18 | -2.5 | CSCC[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](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/acs.jmedchem.7b01295 | ||
137645898 | 158016 | 0 | None | 27 | 2 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 797 | 10 | 9 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4085584 | 158016 | 0 | None | 27 | 2 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 797 | 10 | 9 | 8 | -1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
164613361 | 184775 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4851302 | 184775 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
90643805 | 111743 | 0 | None | -13 | 5 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 111743 | 0 | None | -13 | 5 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
155556047 | 174495 | 0 | None | -1 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 174495 | 0 | None | -1 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
155561743 | 175770 | 0 | None | -3 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 175770 | 0 | None | -3 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 175791 | 0 | None | -3 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 175791 | 0 | None | -3 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL322610 | 211232 | 0 | None | -14 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||||
CHEMBL502093 | 214147 | 0 | None | -38 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||||
54586246 | 60815 | 0 | None | -208 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 60815 | 0 | None | -208 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
137644449 | 158290 | 0 | None | -10 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 158290 | 0 | None | -10 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
145957551 | 162262 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1015 | 17 | 13 | 11 | -1.5 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4163787 | 162262 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1015 | 17 | 13 | 11 | -1.5 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
9852256 | 175365 | 0 | None | 4 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 175365 | 0 | None | 4 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
71457994 | 78577 | 0 | None | -1 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 78577 | 0 | None | -1 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
155538472 | 173249 | 0 | None | -2 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 173249 | 0 | None | -2 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
155549385 | 173803 | 0 | None | -7 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 173803 | 0 | None | -7 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
155549865 | 173854 | 0 | None | -10 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 173854 | 0 | None | -10 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
164613676 | 185447 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4861645 | 185447 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137633477 | 156593 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4068777 | 156593 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155551202 | 173957 | 0 | None | -1 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4541505 | 173957 | 0 | None | -1 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL320157 | 211224 | 0 | None | -2 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||||
44413970 | 139013 | 0 | None | 50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378571 | 139013 | 0 | None | 50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL607103 | 215825 | 0 | None | - | 1 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||||
145967155 | 164241 | 0 | None | -32 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4211275 | 164241 | 0 | None | -32 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
44394786 | 124078 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 883 | 22 | 9 | 7 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363271 | 124078 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 883 | 22 | 9 | 7 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137655905 | 158826 | 0 | None | 51 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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 | 158826 | 0 | None | 51 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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 | ||
CHEMBL3629476 | 211887 | 0 | None | - | 1 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
137653925 | 158605 | 0 | None | 4 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 158605 | 0 | None | 4 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
CHEMBL104010 | 208459 | 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 | ||||
145980198 | 166684 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 692 | 17 | 7 | 6 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
CHEMBL4282109 | 166684 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 692 | 17 | 7 | 6 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
9808801 | 60807 | 0 | None | -120 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 60807 | 0 | None | -120 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
CHEMBL2371887 | 210143 | 0 | None | -52 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | 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@@]2(CCc3c(CC)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||||
45487417 | 197042 | 0 | None | 8 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 197042 | 0 | None | 8 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
44305704 | 203335 | 0 | None | -1 | 4 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | 203335 | 0 | None | -1 | 4 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||
44358111 | 119454 | 0 | None | - | 1 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.0 | O=C1[C@H]2CCCN2C(=O)C(Cc2ccc3ccccc3c2)SCCN1Cc1c[nH]c2ccccc12 | 10.1021/jm990190s | ||
CHEMBL345096 | 119454 | 0 | None | - | 1 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.0 | O=C1[C@H]2CCCN2C(=O)C(Cc2ccc3ccccc3c2)SCCN1Cc1c[nH]c2ccccc12 | 10.1021/jm990190s | ||
25132866 | 172609 | 0 | None | -85 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | ||
CHEMBL449131 | 172609 | 0 | None | -85 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | ||
73353216 | 89474 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL2372046 | 89474 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
25129108 | 172694 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | ||
CHEMBL450236 | 172694 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | ||
70660651 | 151884 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 738 | 11 | 9 | 9 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
CHEMBL3965807 | 151884 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 738 | 11 | 9 | 9 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | ||
137640475 | 157085 | 0 | None | 29 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 157085 | 0 | None | 29 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
164624627 | 185877 | 0 | None | -2 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 185877 | 0 | None | -2 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
73353216 | 89474 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL2372046 | 89474 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/j.bmcl.2005.08.012 | ||
44394582 | 168372 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 771 | 21 | 8 | 6 | 2.5 | CCCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL434544 | 168372 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 771 | 21 | 8 | 6 | 2.5 | CCCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44394694 | 66310 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 819 | 21 | 9 | 6 | 3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL184895 | 66310 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 819 | 21 | 9 | 6 | 3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44413969 | 80228 | 0 | None | 24 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL213752 | 80228 | 0 | None | 24 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
44413931 | 78013 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL209789 | 78013 | 0 | None | -10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
137639140 | 156939 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 3986 | 132 | 62 | 63 | -23.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)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)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b00251 | ||
CHEMBL4072638 | 156939 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 3986 | 132 | 62 | 63 | -23.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)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)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b00251 | ||
CHEMBL3577981 | 211747 | 1 | None | -91 | 5 | Mouse | 5.4 | pEC50 | = | 5.4 | 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.5b00184 | ||||
CHEMBL432895 | 213633 | 4 | None | -4 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||||
44408154 | 141360 | 0 | None | -398 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 141360 | 0 | None | -398 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
140907868 | 190098 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 565 | 7 | 2 | 6 | 5.0 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5172883 | 190098 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 565 | 7 | 2 | 6 | 5.0 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
137645483 | 157616 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 157616 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
137657151 | 159554 | 0 | None | 3 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 159554 | 0 | None | 3 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
44277422 | 101107 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cc(Br)ccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29511 | 101107 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2cc(Br)ccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
168275774 | 190294 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 438 | 5 | 1 | 4 | 4.7 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5175928 | 190294 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 438 | 5 | 1 | 4 | 4.7 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL415200 | 213177 | 0 | None | -5 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||||
44457002 | 97570 | 0 | None | -1 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
CHEMBL270691 | 97570 | 0 | None | -1 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
164621924 | 185949 | 0 | None | -72 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | 185949 | 0 | None | -72 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | ||
25133208 | 171992 | 0 | None | -4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | ||
CHEMBL447117 | 171992 | 0 | None | -4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | ||
145966716 | 164303 | 0 | None | -18 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 164303 | 0 | None | -18 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
24882615 | 97490 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL270270 | 97490 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
73345549 | 89449 | 0 | None | -16 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
CHEMBL2371218 | 89449 | 0 | None | -16 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | ||
44275372 | 96731 | 0 | None | -67 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1031 | 14 | 11 | 9 | 2.0 | 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)C2(CCc3c(cccc3C(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL264337 | 96731 | 0 | None | -67 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1031 | 14 | 11 | 9 | 2.0 | 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)C2(CCc3c(cccc3C(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
44275371 | 141902 | 0 | None | -10 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1032 | 14 | 11 | 10 | 0.9 | 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)C2(CCc3c(cccc3N(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL386871 | 141902 | 0 | None | -10 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1032 | 14 | 11 | 10 | 0.9 | 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)C2(CCc3c(cccc3N(C)C)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL138356 | 208751 | 4 | None | - | 1 | Mouse | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(CC(=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 | ||||
44310242 | 156307 | 0 | None | -39 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 156307 | 0 | None | -39 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 156307 | 0 | None | -39 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
CHEMBL2372365 | 210222 | 0 | None | -10 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||||
102096778 | 58804 | 0 | None | 5 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
51351277 | 58804 | 0 | None | 5 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
53322400 | 58804 | 0 | None | 5 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
91932360 | 58804 | 0 | None | 5 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
CHEMBL1688111 | 58804 | 0 | None | 5 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
44394657 | 127462 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 745 | 19 | 10 | 7 | 0.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL366040 | 127462 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 745 | 19 | 10 | 7 | 0.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
1338 | 3805 | 43 | None | -467 | 8 | Human | 8.3 | pEC50 | = | 8.3 | 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.2007.11.109 | ||
9938402 | 3805 | 43 | None | -467 | 8 | Human | 8.3 | pEC50 | = | 8.3 | 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.2007.11.109 | ||
CHEMBL339053 | 3805 | 43 | None | -467 | 8 | Human | 8.3 | pEC50 | = | 8.3 | 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.2007.11.109 | ||
122184499 | 122391 | 0 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 122391 | 0 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
73348634 | 89469 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 975 | 13 | 10 | 9 | 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]2Cc3ccccc3CN2C1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL2371902 | 89469 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 975 | 13 | 10 | 9 | 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]2Cc3ccccc3CN2C1=O | 10.1016/s0960-894x(03)00114-8 | ||
45487404 | 197434 | 0 | None | 186 | 5 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 197434 | 0 | None | 186 | 5 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
155563055 | 175293 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | 175293 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | ||
44322958 | 107010 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL315356 | 107010 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL406891 | 212624 | 0 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | ||||
CHEMBL2096710 | 209203 | 0 | None | 53 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | 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](CCCN=C(N)N)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/jm049620r | ||||
168272615 | 190385 | 0 | None | 31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 190385 | 0 | None | 31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
118722935 | 116234 | 0 | None | -3 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | 116234 | 0 | None | -3 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | ||
44422999 | 168853 | 0 | None | -4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 168853 | 0 | None | -4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
CHEMBL5077811 | 214514 | 0 | None | 72 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | 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 | ||||
CHEMBL4299612 | 213592 | 0 | None | 1 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||||
137640703 | 157095 | 0 | None | 338 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | 157095 | 0 | None | 338 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||
10123761 | 99491 | 0 | None | -15 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL283214 | 99491 | 0 | None | -15 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
25129109 | 188700 | 0 | None | -29 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | ||
CHEMBL504349 | 188700 | 0 | None | -29 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | ||
CHEMBL228194 | 209451 | 0 | None | 12 | 2 | 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](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
137648053 | 157537 | 0 | None | -3 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 157537 | 0 | None | -3 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
11512024 | 200483 | 0 | None | 5 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL598616 | 200483 | 0 | None | 5 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 7 | 1 | 4 | 4.6 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(F)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL3600833 | 211812 | 0 | None | -1 | 4 | 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](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 | ||||
137658252 | 159627 | 0 | None | -7 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 159627 | 0 | None | -7 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
CHEMBL3577988 | 211749 | 0 | None | - | 1 | 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](Cc2ccc(-c3ccccc3)cc2)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.5b00184 | ||||
164609537 | 184395 | 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 | 184395 | 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 | ||
45487297 | 197099 | 0 | None | 9 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 197099 | 0 | None | 9 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
CHEMBL138212 | 208750 | 0 | None | -8 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||||
155547310 | 173609 | 0 | None | -10 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 173609 | 0 | None | -10 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
CHEMBL2323791 | 209515 | 0 | None | -4 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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]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 | ||||
137633477 | 156593 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4068777 | 156593 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44305956 | 102759 | 0 | None | -1 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 102759 | 0 | None | -1 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
CHEMBL405408 | 212556 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | 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](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 | ||||
164616496 | 185390 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860703 | 185390 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44394586 | 126777 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 759 | 20 | 8 | 7 | 1.0 | COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365385 | 126777 | 0 | None | -7 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 759 | 20 | 8 | 7 | 1.0 | COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL589515 | 215798 | 0 | None | -7 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||||
CHEMBL184870 | 209049 | 0 | None | -41 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | C=CCNC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44413592 | 78415 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 767 | 10 | 10 | 7 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL211131 | 78415 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 767 | 10 | 10 | 7 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL216529 | 209329 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=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)N1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||||
CHEMBL3578001 | 211753 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | C[C@H](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)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](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL407346 | 212654 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm010215z | ||||
44310372 | 158579 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1436 | 23 | 17 | 21 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CSSSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932915 | 158579 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1436 | 23 | 17 | 21 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CSSSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL409190 | 158579 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1436 | 23 | 17 | 21 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CSSSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
44305805 | 100880 | 0 | None | -1 | 2 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | 100880 | 0 | None | -1 | 2 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | ||
145980719 | 166494 | 0 | None | -1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 166494 | 0 | None | -1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
44413932 | 137544 | 0 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | ||
CHEMBL375440 | 137544 | 0 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | ||
CHEMBL2323788 | 209512 | 0 | None | 13 | 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](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 | ||||
CHEMBL264190 | 210606 | 1 | None | -6 | 8 | 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(N)=O | 10.1021/jm0490843 | ||||
11706338 | 201705 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237150 | 201705 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237166 | 201705 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL606399 | 201705 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
49862377 | 15039 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 15039 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
44305784 | 203337 | 0 | None | -1 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 203337 | 0 | None | -1 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
CHEMBL437054 | 213700 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=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)N1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||||
44413842 | 138375 | 0 | None | 3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377210 | 138375 | 0 | None | 3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
16007263 | 79794 | 0 | None | -309 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL211975 | 79794 | 0 | None | -309 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
168278569 | 190917 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 514 | 6 | 1 | 4 | 6.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2-c2ccccc2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5185331 | 190917 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 514 | 6 | 1 | 4 | 6.3 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccccc2-c2ccccc2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL2304246 | 209481 | 0 | None | 1 | 3 | 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 | ||||
CHEMBL444219 | 213928 | 0 | None | -120 | 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(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
45487299 | 197373 | 0 | None | 48 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 661 | 19 | 8 | 8 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569222 | 197373 | 0 | None | 48 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 661 | 19 | 8 | 8 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
137644114 | 158130 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4087093 | 158130 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL184644 | 209048 | 0 | None | -1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44394581 | 122147 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 755 | 19 | 9 | 6 | 1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359702 | 122147 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 755 | 19 | 9 | 6 | 1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL607104 | 215826 | 0 | None | -2 | 2 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | ||||
11845438 | 137621 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL375775 | 137621 | 0 | None | -5 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
137657607 | 159634 | 0 | None | 56 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 159634 | 0 | None | 56 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
44373198 | 52164 | 0 | None | -7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 848 | 22 | 10 | 8 | 0.1 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Br)cc1)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)01052-1 | ||
CHEMBL158808 | 52164 | 0 | None | -7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 848 | 22 | 10 | 8 | 0.1 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Br)cc1)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)01052-1 | ||
137658158 | 159715 | 0 | None | 10 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 159715 | 0 | None | 10 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||
10077258 | 15029 | 0 | None | -46 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | 15029 | 0 | None | -46 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||
CHEMBL413437 | 213067 | 0 | None | - | 1 | 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](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cccs2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
137642804 | 158369 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4089759 | 158369 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL501679 | 214141 | 0 | None | -67 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||||
51350911 | 58802 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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)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 | 58802 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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)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 | 58802 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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)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 | 58802 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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)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 | ||
44394692 | 66212 | 0 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL184466 | 66212 | 0 | None | -17 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
11706338 | 201705 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237150 | 201705 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL1237166 | 201705 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL606399 | 201705 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 523 | 7 | 2 | 5 | 4.2 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1 | 10.1016/j.bmc.2010.01.049 | ||
137658359 | 159569 | 0 | None | 6 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 159569 | 0 | None | 6 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
44372908 | 119831 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 22 | 10 | 8 | -0.4 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(C)cc1)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)01052-1 | ||
CHEMBL348526 | 119831 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 22 | 10 | 8 | -0.4 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(C)cc1)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)01052-1 | ||
CHEMBL2310901 | 209496 | 0 | None | -1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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)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 | ||||
44408286 | 140666 | 0 | None | -562 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 140666 | 0 | None | -562 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
44457043 | 97610 | 0 | None | -5 | 5 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 97610 | 0 | None | -5 | 5 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
164626394 | 186589 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 186589 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
44305790 | 102838 | 0 | None | -2 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | 102838 | 0 | None | -2 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | ||
44394093 | 127237 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 881 | 19 | 9 | 6 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365825 | 127237 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 881 | 19 | 9 | 6 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137639815 | 156800 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 156800 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
49862378 | 15040 | 0 | None | -58 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | 15040 | 0 | None | -58 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||
145951839 | 162873 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
CHEMBL4173301 | 162873 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
162645080 | 179448 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 179448 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
122184577 | 122427 | 0 | None | -13 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600838 | 122427 | 0 | None | -13 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
127047336 | 139796 | 0 | None | -46 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 139796 | 0 | None | -46 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
73353216 | 89474 | 0 | None | -5 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL2372046 | 89474 | 0 | None | -5 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 806 | 20 | 9 | 7 | 0.9 | CCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
44394580 | 122146 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 757 | 19 | 8 | 6 | 2.0 | CC(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359701 | 122146 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 757 | 19 | 8 | 6 | 2.0 | CC(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44394659 | 66952 | 0 | None | -53 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 754 | 19 | 9 | 7 | 1.5 | N#CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL186687 | 66952 | 0 | None | -53 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 754 | 19 | 9 | 7 | 1.5 | N#CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
45487286 | 197339 | 0 | None | 10 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 197339 | 0 | None | 10 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
145976863 | 163756 | 0 | None | -4 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 163756 | 0 | None | -4 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
164618352 | 184645 | 0 | None | -1 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 184645 | 0 | None | -1 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
44394691 | 122901 | 0 | None | -27 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL360598 | 122901 | 0 | None | -27 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
122184911 | 122554 | 0 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 122554 | 0 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
44335147 | 4590 | 0 | None | -4 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 4590 | 0 | None | -4 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
11845276 | 80051 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL212976 | 80051 | 0 | None | -2 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL441988 | 213903 | 4 | None | -162 | 2 | 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 | ||||
CHEMBL2369485 | 209626 | 0 | None | 1 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||||
CHEMBL2370694 | 209909 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm010215z | ||||
CHEMBL2370695 | 209910 | 0 | None | 1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm010215z | ||||
44394660 | 67052 | 0 | None | -41 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 20 | 9 | 7 | 0.2 | NC(=O)CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL187167 | 67052 | 0 | None | -41 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 20 | 9 | 7 | 0.2 | NC(=O)CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
168274393 | 190103 | 0 | None | 2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | 190103 | 0 | None | 2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||
CHEMBL2323785 | 209509 | 0 | None | 8 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL2115246 | 209261 | 0 | None | - | 1 | 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](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)c2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
CHEMBL3350298 | 211465 | 0 | None | - | 1 | 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](CCCN=C(N)N)NC(=O)[C@@H]([C@H](C)c2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm970018t | ||||
127047475 | 139747 | 0 | None | -6 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | 139747 | 0 | None | -6 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | 139747 | 0 | None | -6 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||
145989222 | 167278 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 167278 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
168278924 | 191064 | 0 | None | 3 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | 191064 | 0 | None | 3 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||
44322957 | 206209 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL86573 | 206209 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44323033 | 107150 | 0 | None | 4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL316259 | 107150 | 0 | None | 4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL411400 | 212881 | 0 | None | -48 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||||
145971673 | 164696 | 0 | None | 4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 837 | 11 | 12 | 9 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4217191 | 164696 | 0 | None | 4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 837 | 11 | 12 | 9 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL376614 | 212250 | 0 | None | 1 | 2 | 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](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 | ||||
162671821 | 182901 | 0 | None | -3 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 182901 | 0 | None | -3 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL420581 | 213249 | 0 | None | 27 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
CHEMBL267755 | 210729 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=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)C(C)C)C(=O)NCC(N)=O | 10.1021/jm020355o | ||||
CHEMBL409760 | 212780 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | ||||
CHEMBL3644320 | 211958 | 0 | None | -30 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | ||||
CHEMBL322610 | 211232 | 0 | None | -14 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||||
137654884 | 158595 | 0 | None | -12 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 158595 | 0 | None | -12 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
137661509 | 159495 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 782 | 18 | 8 | 6 | 1.0 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4101856 | 159495 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 782 | 18 | 8 | 6 | 1.0 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
145950765 | 162831 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 964 | 12 | 11 | 11 | -2.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4172753 | 162831 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 964 | 12 | 11 | 11 | -2.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
164624386 | 186196 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 186196 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
44394730 | 132485 | 0 | None | -42 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 21 | 10 | 7 | 0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL369770 | 132485 | 0 | None | -42 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 21 | 10 | 7 | 0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
164619091 | 186184 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872732 | 186184 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137631628 | 156565 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1508 | 44 | 20 | 17 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | ||
CHEMBL4068475 | 156565 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1508 | 44 | 20 | 17 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | ||
46228689 | 200217 | 0 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1[C@H](Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL596794 | 200217 | 0 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 5 | 1 | 4 | 4.4 | O=C1[C@H](Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL3577976 | 211742 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | ||||
164609931 | 184495 | 0 | None | -3 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 184495 | 0 | None | -3 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
44372964 | 51745 | 0 | None | -20 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 838 | 22 | 10 | 8 | 0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)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)01052-1 | ||
CHEMBL158471 | 51745 | 0 | None | -20 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 838 | 22 | 10 | 8 | 0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)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)01052-1 | ||
44310258 | 159416 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 159416 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 159416 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
CHEMBL104880 | 208463 | 0 | None | -1 | 2 | Mouse | 4.2 | pEC50 | = | 4.2 | 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 | ||||
46884748 | 8394 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | ||
CHEMBL1093307 | 8394 | 0 | None | -16 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | ||
CHEMBL501592 | 214139 | 0 | None | -81 | 4 | 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](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 | ||||
46232222 | 201053 | 0 | None | 3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 201053 | 0 | None | 3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
45487285 | 196991 | 0 | None | 7 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 196991 | 0 | None | 7 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
CHEMBL430843 | 213619 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||||
CHEMBL376339 | 212242 | 0 | None | 1 | 3 | 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](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 | ||||
145973779 | 164730 | 0 | None | -57 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | 164730 | 0 | None | -57 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | ||
CHEMBL2304250 | 209484 | 0 | None | 2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||||
9982536 | 28164 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 478 | 9 | 3 | 4 | 3.5 | NCCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)SCCN(CCc2ccccc2)C1=O | 10.1021/jm990190s | ||
CHEMBL137344 | 28164 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 478 | 9 | 3 | 4 | 3.5 | NCCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)SCCN(CCc2ccccc2)C1=O | 10.1021/jm990190s | ||
15602927 | 157880 | 0 | None | -16 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 157880 | 0 | None | -16 | 5 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL2448525 | 210497 | 0 | None | 95 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||||
137659790 | 159320 | 0 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | 159320 | 0 | None | 1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
46885761 | 8026 | 0 | None | -107 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 8026 | 0 | None | -107 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | ||
122179549 | 121482 | 0 | None | 1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582443 | 121482 | 0 | None | 1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1021/acsmedchemlett.5b00053 | ||
45487409 | 196895 | 0 | None | 6 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 196895 | 0 | None | 6 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
44359580 | 32875 | 0 | None | -1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 32875 | 0 | None | -1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
44413536 | 139927 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 753 | 10 | 10 | 7 | 1.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL379959 | 139927 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 753 | 10 | 10 | 7 | 1.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
145964837 | 164345 | 0 | None | -6 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 164345 | 0 | None | -6 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL370254 | 212164 | 3 | None | -24 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||||
164627491 | 186501 | 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 | 186501 | 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 | ||
44394736 | 123314 | 0 | None | -25 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361579 | 123314 | 0 | None | -25 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL3601431 | 211825 | 0 | None | -2 | 4 | 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](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 | ||||
44408173 | 75399 | 0 | None | -426 | 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 | 75399 | 0 | None | -426 | 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 | ||
44278223 | 99133 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 878 | 23 | 9 | 8 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OC(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL281060 | 99133 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 878 | 23 | 9 | 8 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OC(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
164613550 | 185127 | 0 | None | -12 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 185127 | 0 | None | -12 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
44569176 | 172543 | 0 | None | -77 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | ||
CHEMBL448410 | 172543 | 0 | None | -77 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | ||
44404526 | 96490 | 0 | None | -346 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 878 | 23 | 9 | 8 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL262470 | 96490 | 0 | None | -346 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 878 | 23 | 9 | 8 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2005.08.012 | ||
44456958 | 97402 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL269837 | 97402 | 0 | None | -2 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
44394693 | 96596 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 805 | 20 | 9 | 6 | 2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL263234 | 96596 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 805 | 20 | 9 | 6 | 2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137649368 | 157404 | 0 | None | 6 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | 157404 | 0 | None | 6 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||
164610510 | 184593 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848870 | 184593 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44322986 | 106095 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL313377 | 106095 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
44322924 | 107110 | 0 | None | 7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL316038 | 107110 | 0 | None | 7 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44322977 | 111567 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL328117 | 111567 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
16132144 | 209277 | 36 | None | 1 | 8 | Mouse | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
16133793 | 209277 | 36 | None | 1 | 8 | Mouse | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
44273719 | 209277 | 36 | None | 1 | 8 | Mouse | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL214332 | 209277 | 36 | None | 1 | 8 | Mouse | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL2323793 | 209517 | 0 | None | 17 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | 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](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 | ||||
44322788 | 157381 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL407825 | 157381 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
137657633 | 159679 | 0 | None | 5 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | ||
16152172 | 159679 | 0 | None | 5 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | ||
CHEMBL4104092 | 159679 | 0 | None | 5 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | ||
137653916 | 158578 | 0 | None | 3 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 158578 | 0 | None | 3 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
1334 | 1500 | 7 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1500 | 7 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1500 | 7 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
155550338 | 174306 | 0 | None | 18 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 174306 | 0 | None | 18 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
118735101 | 118799 | 0 | None | -58 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | 118799 | 0 | None | -58 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | ||
164621414 | 185772 | 0 | None | 1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 185772 | 0 | None | 1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
44394734 | 64555 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 791 | 19 | 9 | 6 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL181494 | 64555 | 0 | None | -5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 791 | 19 | 9 | 6 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
164622453 | 186088 | 0 | None | -11 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 186088 | 0 | None | -11 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
122179550 | 121483 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582444 | 121483 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1021/acsmedchemlett.5b00053 | ||
11627577 | 201189 | 0 | None | 4 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL603468 | 201189 | 0 | None | 4 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 7 | 1 | 4 | 4.5 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 | 10.1016/j.bmc.2010.01.049 | ||
11846844 | 140077 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL380051 | 140077 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44577520 | 188822 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | 188822 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
44413828 | 139291 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL379168 | 139291 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
137640715 | 157001 | 0 | None | 34 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 157001 | 0 | None | 34 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
45487287 | 197647 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 197647 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
CHEMBL3577978 | 211744 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | ||||
164617159 | 185433 | 0 | None | -11 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 185433 | 0 | None | -11 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
25133207 | 172941 | 0 | None | -15 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | ||
CHEMBL451694 | 172941 | 0 | None | -15 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | ||
CHEMBL2371880 | 210142 | 0 | None | -147 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | 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@@]2(CCc3c(cccc3OC)C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||||
137659949 | 159130 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | ||
CHEMBL4097903 | 159130 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | ||
118735103 | 118801 | 0 | None | -13 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 118801 | 0 | None | -13 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||
46885972 | 8117 | 0 | None | -10 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 8117 | 0 | None | -10 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
CHEMBL3600843 | 211818 | 0 | None | -2 | 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)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 | ||||
24858480 | 188031 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 895 | 12 | 10 | 10 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL497587 | 188031 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 895 | 12 | 10 | 10 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL444493 | 213931 | 0 | None | -37 | 2 | 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)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 | ||||
137647508 | 157862 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4083857 | 157862 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
137635701 | 156035 | 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 | 156035 | 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 | ||
44359732 | 29073 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 29073 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
CHEMBL50056 | 214117 | 2 | None | -281 | 7 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 214117 | 2 | None | -281 | 7 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||||
140907728 | 190403 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 633 | 7 | 2 | 6 | 6.0 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccc(C(F)(F)F)cc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
CHEMBL5177709 | 190403 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 633 | 7 | 2 | 6 | 6.0 | CC(C)(C)N1C[C@@H](C(=O)Nc2nccn2Cc2ccc(C(F)(F)F)cc2N2CCC(C(=O)O)CC2)[C@H](c2ccc(F)cc2F)C1 | 10.1016/j.bmcl.2022.129040 | ||
44413535 | 96703 | 0 | None | -4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 738 | 10 | 9 | 7 | 2.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2c[nH]cn2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
CHEMBL264120 | 96703 | 0 | None | -4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 738 | 10 | 9 | 7 | 2.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2c[nH]cn2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmcl.2006.04.050 | ||
137632433 | 156365 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4066083 | 156365 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487418 | 197239 | 0 | None | 8 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 197239 | 0 | None | 8 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
45487298 | 197340 | 0 | None | 7 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 197340 | 0 | None | 7 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
CHEMBL138771 | 208752 | 0 | None | -2 | 3 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||||
CHEMBL434357 | 213650 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | COP(=O)(N[C@@H](Cc1ccc(Cl)cc1)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)OC | 10.1016/j.bmcl.2004.07.046 | ||||
44305770 | 202792 | 0 | None | -4 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 202792 | 0 | None | -4 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
164612217 | 184843 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852297 | 184843 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
46228845 | 199386 | 0 | None | 39 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 551 | 9 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(Cc3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591026 | 199386 | 0 | None | 39 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 551 | 9 | 1 | 5 | 4.5 | COc1ccc(N(C(=O)CN2C=CN(Cc3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 | 10.1016/j.bmc.2010.01.049 | ||
25132526 | 188921 | 0 | None | -100 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | ||
CHEMBL507876 | 188921 | 0 | None | -100 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | ||
137643076 | 158463 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1551 | 46 | 23 | 18 | -2.8 | CC(C)C[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](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/acs.jmedchem.7b01295 | ||
CHEMBL4090684 | 158463 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1551 | 46 | 23 | 18 | -2.8 | CC(C)C[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](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/acs.jmedchem.7b01295 | ||
11845804 | 79556 | 0 | None | 123 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL211419 | 79556 | 0 | None | 123 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
137651071 | 157465 | 0 | None | 16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | 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 | 157465 | 0 | None | 16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | 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 | ||
CHEMBL2096759 | 209206 | 0 | None | 7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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)ON | 10.1021/jm049579s | ||||
44322787 | 105962 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL312998 | 105962 | 0 | None | -1 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44322923 | 206544 | 0 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL88630 | 206544 | 0 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
145966364 | 164118 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4209913 | 164118 | 0 | None | -3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL2323794 | 209518 | 0 | None | 5 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | 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](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 | ||||
168290510 | 191895 | 0 | None | 4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 191895 | 0 | None | 4 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
CHEMBL5085972 | 215001 | 0 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||||
CHEMBL307457 | 210979 | 0 | None | -21 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | 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 | ||||
25129453 | 171764 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | ||
CHEMBL446757 | 171764 | 0 | None | -100 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | ||
CHEMBL2323529 | 209508 | 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](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 | ||||
162661724 | 181533 | 0 | None | -2 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 181533 | 0 | None | -2 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
CHEMBL411359 | 212877 | 0 | None | -1 | 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 | ||||
155548791 | 173728 | 0 | None | 25 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 173728 | 0 | None | 25 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
155567399 | 175964 | 0 | None | -17 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 175964 | 0 | None | -17 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
CHEMBL3646886 | 212022 | 0 | None | -39 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | ||||
CHEMBL3577982 | 211748 | 0 | None | - | 1 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(-c3ccccc3)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.5b00184 | ||||
44394627 | 124079 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 757 | 20 | 8 | 6 | 2.1 | CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363272 | 124079 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 757 | 20 | 8 | 6 | 2.1 | CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
24858481 | 189107 | 0 | None | -21 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 189107 | 0 | None | -21 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||
CHEMBL500743 | 214122 | 0 | None | -23 | 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)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 | ||||
CHEMBL566764 | 215751 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | CC(=O)N/C(=C\c1ccccc1)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 | ||||
CHEMBL387038 | 212402 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=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(C)C)C(=O)NCC(N)=O | 10.1021/jm020355o | ||||
45487415 | 197437 | 0 | None | 11 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 197437 | 0 | None | 11 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
71459896 | 78537 | 0 | None | -6 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL2112064 | 78537 | 0 | None | -6 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
73354716 | 89473 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/j.bmcl.2005.08.012 | ||
CHEMBL2372039 | 89473 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 820 | 21 | 9 | 7 | 1.3 | CCCCC(=O)N[C@@]1(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)NCC(N)=O)CCc2ccccc2C1 | 10.1016/j.bmcl.2005.08.012 | ||
46228842 | 199414 | 0 | None | 38 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 592 | 8 | 1 | 6 | 4.3 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(N2CCOCC2)cc1 | 10.1016/j.bmc.2010.01.049 | ||
CHEMBL591194 | 199414 | 0 | None | 38 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 592 | 8 | 1 | 6 | 4.3 | CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(N2CCOCC2)cc1 | 10.1016/j.bmc.2010.01.049 | ||
122184909 | 122552 | 0 | None | -6 | 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)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 | 122552 | 0 | None | -6 | 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)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 | ||
44394787 | 165986 | 0 | None | -4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 821 | 21 | 9 | 7 | 2.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL425348 | 165986 | 0 | None | -4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 821 | 21 | 9 | 7 | 2.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL181161 | 208978 | 0 | None | -100 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL311629 | 211098 | 0 | None | 56 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
137659790 | 159320 | 0 | None | 1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | 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 | 159320 | 0 | None | 1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | 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 | ||
44394585 | 66764 | 0 | None | -61 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 755 | 20 | 9 | 6 | 2.1 | C=CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL185868 | 66764 | 0 | None | -61 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 755 | 20 | 9 | 6 | 2.1 | C=CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL3754655 | 212221 | 0 | None | -1 | 3 | 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)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.5b01285 | ||||
CHEMBL183315 | 209041 | 0 | None | -9 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
145975465 | 163947 | 0 | None | -38 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 163947 | 0 | None | -38 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
25128751 | 173582 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | ||
CHEMBL453300 | 173582 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | ||
44413930 | 138646 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377620 | 138646 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL88185 | 215894 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CS(=O)(=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 | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL426756 | 213347 | 0 | None | 3 | 2 | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
122178158 | 121251 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | ||
CHEMBL3577987 | 121251 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | ||
CHEMBL438294 | 213764 | 0 | None | -5 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
44277301 | 100854 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 854 | 21 | 9 | 7 | 2.0 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Cl)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29349 | 100854 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 854 | 21 | 9 | 7 | 2.0 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Cl)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | ||
10257242 | 15028 | 0 | None | -39 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 15028 | 0 | None | -39 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
44394735 | 123313 | 0 | None | -47 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361578 | 123313 | 0 | None | -47 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44323015 | 111431 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL327450 | 111431 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL3646880 | 212017 | 0 | None | -29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | ||||
44322994 | 106995 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL315258 | 106995 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
44323029 | 207179 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL92481 | 207179 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
155512534 | 169690 | 0 | None | 22 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 169690 | 0 | None | 22 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
73354704 | 89472 | 0 | None | -13 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 989 | 13 | 11 | 9 | 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@@]2(CCc3ccccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL2371913 | 89472 | 0 | None | -13 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 989 | 13 | 11 | 9 | 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@@]2(CCc3ccccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
137637251 | 155904 | 0 | None | 6 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 155904 | 0 | None | 6 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
155558048 | 175723 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 655 | 20 | 12 | 8 | -2.8 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4582657 | 175723 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 655 | 20 | 12 | 8 | -2.8 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL311175 | 211096 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
44431512 | 145922 | 0 | None | -30 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 145922 | 0 | None | -30 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
54584301 | 60808 | 0 | None | -85 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | 60808 | 0 | None | -85 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | ||
137642664 | 158078 | 0 | None | 7 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 158078 | 0 | None | 7 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
CHEMBL454736 | 213995 | 0 | None | -4 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||||
137659091 | 159338 | 0 | None | 6 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 159338 | 0 | None | 6 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
CHEMBL2304247 | 209482 | 0 | None | -15 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||||
10373417 | 100803 | 0 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29317 | 100803 | 0 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
10373417 | 100803 | 0 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL29317 | 100803 | 0 | None | -301 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL3752534 | 212214 | 1 | None | -436 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | ||||
45487404 | 197434 | 0 | None | -186 | 5 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 197434 | 0 | None | -186 | 5 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
44394690 | 124646 | 0 | None | -30 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL364119 | 124646 | 0 | None | -30 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44408189 | 168877 | 0 | None | -158 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 168877 | 0 | None | -158 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
CHEMBL312357 | 211107 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00459-6 | ||||
CHEMBL3350327 | 211468 | 0 | None | -2 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||||
CHEMBL433296 | 213634 | 0 | None | -1 | 4 | 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 | ||||
137638725 | 156977 | 0 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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)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]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 | ||
CHEMBL4073016 | 156977 | 0 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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)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]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 | ||
44408253 | 140342 | 0 | None | -97 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 140342 | 0 | None | -97 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
25133209 | 173349 | 0 | None | -36 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | ||
CHEMBL452710 | 173349 | 0 | None | -36 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | ||
11845272 | 80356 | 0 | None | -9 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL214347 | 80356 | 0 | None | -9 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL103817 | 208457 | 0 | None | -20 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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/acs.jmedchem.5b01894 | ||||
44408252 | 140667 | 0 | None | -120 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 140667 | 0 | None | -120 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
CHEMBL359765 | 211805 | 0 | None | -10 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
44277299 | 169430 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 864 | 23 | 9 | 8 | 1.7 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OCC)C1 | 10.1016/s0960-894x(02)00830-2 | ||
CHEMBL442537 | 169430 | 0 | None | -8 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 864 | 23 | 9 | 8 | 1.7 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2OCC)C1 | 10.1016/s0960-894x(02)00830-2 | ||
46232228 | 201021 | 0 | None | -3 | 3 | Mouse | 6.0 | pEC50 | = | 6 | 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 | 201021 | 0 | None | -3 | 3 | Mouse | 6.0 | pEC50 | = | 6 | 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 | ||
45487294 | 196811 | 0 | None | 3 | 4 | Mouse | 6.0 | pEC50 | = | 6 | 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 | 196811 | 0 | None | 3 | 4 | Mouse | 6.0 | pEC50 | = | 6 | 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 | ||
CHEMBL2370964 | 209965 | 0 | None | 10 | 4 | Human | 10.1 | pIC50 | = | 10.1 | 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](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 | ||||
CHEMBL2370964 | 209965 | 0 | None | 10 | 4 | Human | 9.1 | pIC50 | = | 9.1 | 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](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 | ||||
CHEMBL3600736 | 211810 | 0 | None | -6 | 4 | Human | 7.0 | pIC50 | = | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3600912 | 211819 | 0 | None | -1 | 4 | Human | 7.8 | pIC50 | = | 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](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 | ||||
1338 | 3805 | 43 | None | -467 | 8 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -467 | 8 | Human | 5.7 | pIC50 | = | 5.7 | 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 | ||
CHEMBL2370968 | 209969 | 0 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 209969 | 0 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00102 | ||||
122184910 | 122553 | 0 | None | -5 | 4 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 122553 | 0 | None | -5 | 4 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
CHEMBL428801 | 213470 | 0 | None | 3 | 5 | Human | 10.3 | pKd | = | 10.3 | 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)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 | ||||
122184914 | 122557 | 0 | None | 6 | 4 | Human | 8.8 | pKd | = | 8.8 | Functional | 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 | 122557 | 0 | None | 6 | 4 | Human | 8.8 | pKd | = | 8.8 | Functional | 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 | ||
122184635 | 122432 | 0 | None | -14 | 4 | Human | 7.5 | pKd | = | 7.5 | 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 | 122432 | 0 | None | -14 | 4 | Human | 7.5 | pKd | = | 7.5 | 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 | ||
10408 | 719 | 28 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 719 | 28 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 719 | 28 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 719 | 28 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 719 | 28 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | ||||
131839615 | 212634 | 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 | 212634 | 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 | 212634 | 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 | 212634 | 26 | None | -1 | 7 | Human | 8.0 | pIC50 | = | 8 | 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 | 212634 | 26 | None | -1 | 7 | Human | 8.0 | pIC50 | = | 8 | 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 | 212634 | 26 | None | -1 | 7 | Human | 8.0 | pIC50 | = | 8 | 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 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1324 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16154396 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16197727 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
44285019 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
57514683 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
91898441 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL441738 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
DB04931 | 302 | 25 | None | -2 | 9 | Human | 10.0 | pIC50 | None | 10 | Functional | Guide to Pharmacology | None | None | None | None | 3286233 | ||||
1327 | 496 | 0 | None | 6 | 2 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 11705773 | ||||
1327 | 496 | 0 | None | 6 | 2 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9058374 | ||||
1320 | 366 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16162729 | 366 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1323 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 2535874 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
92432 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 2535874 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL430239 | 2686 | 55 | None | -23 | 8 | Human | 9.4 | pIC50 | None | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 2535874 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
1324 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
1323 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
92432 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL430239 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44327392 | 141861 | 0 | None | - | 0 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | 141861 | 0 | None | - | 0 | Mouse | 10.7 | pEC50 | = | 10.7 | 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 | |||
1323 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
92432 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL430239 | 2686 | 55 | None | - | 3 | Mouse | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
1324 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL2096742 | 209204 | 0 | None | - | 2 | Human | 10.4 | pEC50 | = | 10.4 | 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)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303103 | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
CHEMBL440801 | 213867 | 0 | None | - | 2 | Human | 10.3 | pEC50 | = | 10.3 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303103 | |||||
CHEMBL3350330 | 211470 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | 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]([C@@H](C)c2c[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/jm00023a012 | |||||
16132144 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm0303103 | |||||
16133793 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm0303103 | |||||
44273719 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm0303103 | |||||
CHEMBL214332 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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/jm0303103 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pEC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pEC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pEC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
16132144 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10 | 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/jm00023a012 | |||||
16133793 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10 | 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/jm00023a012 | |||||
44273719 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10 | 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/jm00023a012 | |||||
CHEMBL214332 | 209277 | 36 | None | 30 | 4 | Human | 10.0 | pEC50 | = | 10 | 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/jm00023a012 | |||||
44269217 | 30258 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | 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 | 30258 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | 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 | |||
CHEMBL2369964 | 209743 | 0 | None | - | 0 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | |||||
1323 | 2686 | 55 | None | - | 3 | Mouse | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
92432 | 2686 | 55 | None | - | 3 | Mouse | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL430239 | 2686 | 55 | None | - | 3 | Mouse | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL2369959 | 209738 | 0 | None | - | 0 | Mouse | 9.7 | pEC50 | = | 9.7 | 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](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 | |||||
CHEMBL2369973 | 209752 | 0 | None | - | 0 | Mouse | 9.5 | pEC50 | = | 9.5 | 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](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 | |||||
CHEMBL2370906 | 209945 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=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](C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)c1c[nH]c2ccccc12 | 10.1021/jm00023a012 | |||||
44269189 | 98336 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 98336 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | 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 | |||
CHEMBL2364555 | 209576 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | 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]([C@@H](C)c2c[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/jm00023a012 | |||||
16132144 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm049010r | |||||
16133793 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm049010r | |||||
44273719 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm049010r | |||||
CHEMBL214332 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm049010r | |||||
CHEMBL2369963 | 209742 | 0 | None | - | 0 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | |||||
16132144 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm020296e | |||||
16133793 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm020296e | |||||
44273719 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm020296e | |||||
CHEMBL214332 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm020296e | |||||
16132144 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm0104872 | |||||
16133793 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm0104872 | |||||
44273719 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm0104872 | |||||
CHEMBL214332 | 209277 | 36 | None | - | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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/jm0104872 | |||||
CHEMBL2096742 | 209204 | 0 | None | - | 2 | Mouse | 9.2 | pEC50 | = | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm049010r | |||||
1325 | 3598 | 14 | None | - | 7 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
6440621 | 3598 | 14 | None | - | 7 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
9898183 | 3598 | 14 | None | - | 7 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL3422426 | 3598 | 14 | None | - | 7 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
11038873 | 171878 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 171878 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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 | |||
CHEMBL2369962 | 209741 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 6 | 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 | |||||
CHEMBL2369972 | 209751 | 0 | None | - | 0 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | |||||
CHEMBL2369965 | 209744 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | |||||
CHEMBL275303 | 210819 | 0 | None | - | 0 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | |||||
CHEMBL317969 | 211206 | 0 | None | - | 0 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | |||||
CHEMBL329847 | 211319 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | |||||
CHEMBL347216 | 211710 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL264190 | 210606 | 1 | None | - | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | |||||
CHEMBL2369968 | 209747 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | |||||
CHEMBL2096745 | 209205 | 0 | None | - | 0 | Mouse | 5.8 | pEC50 | = | 5.8 | 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)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/jm020296e | |||||
CHEMBL357558 | 211741 | 0 | None | - | 0 | Mouse | 7.8 | pEC50 | = | 7.8 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL317968 | 211205 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | |||||
CHEMBL330233 | 211329 | 0 | None | - | 0 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | |||||
11813437 | 98527 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 98527 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | 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 | |||
CHEMBL2369983 | 209762 | 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](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 | 45244 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 45244 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 210606 | 1 | None | - | 2 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | |||||
118735604 | 118875 | 0 | None | - | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | 118875 | 0 | None | - | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | |||
CHEMBL330561 | 211331 | 0 | None | - | 0 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | |||||
118735605 | 118876 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 118876 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | |||
CHEMBL2369966 | 209745 | 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]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 | |||||
CHEMBL2369971 | 209750 | 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](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 | |||||
44269245 | 167219 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 602 | 7 | 2 | 6 | 2.8 | COc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1021/jm025600i | |||
CHEMBL429212 | 167219 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 602 | 7 | 2 | 6 | 2.8 | COc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1021/jm025600i | |||
CHEMBL433522 | 213639 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | 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](Cc1ccncc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL152555 | 208793 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | 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)N[C@@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
71152187 | 160681 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 534 | 14 | 3 | 6 | 2.9 | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCCCCO)(c3ccccc3C)C2)cc1 | nan | |||
CHEMBL4113490 | 160681 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 534 | 14 | 3 | 6 | 2.9 | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCCCCO)(c3ccccc3C)C2)cc1 | nan | |||
CHEMBL154251 | 208799 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | 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)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL96871 | 215919 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | |||||
CHEMBL3422430 | 211667 | 0 | None | - | 1 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | |||||
CHEMBL349795 | 211718 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | 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)N[C@H](Cc1cccs1)C(N)=O | 10.1021/jm020296e | |||||
9915813 | 38487 | 15 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 38487 | 15 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | |||
CHEMBL2364550 | 209575 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 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]([C@H](C)c2c[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/jm00023a012 | |||||
CHEMBL94391 | 215907 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
44269214 | 98492 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 98492 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | 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 | |||
CHEMBL2369975 | 209754 | 0 | None | - | 0 | Mouse | 8.4 | pEC50 | = | 8.4 | 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](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 | |||||
CHEMBL348901 | 211714 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | 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](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369970 | 209749 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | |||||
CHEMBL350012 | 211720 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | |||||
11763303 | 35822 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | 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 | |||
CHEMBL14416 | 35822 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | 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 | |||
CHEMBL320157 | 211224 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | |||||
CHEMBL2096693 | 209202 | 0 | None | - | 0 | Mouse | 7.4 | pEC50 | = | 7.4 | 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)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2371150 | 210016 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | |||||
CHEMBL431092 | 213620 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | |||||
CHEMBL2369974 | 209753 | 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](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 | |||||
CHEMBL327479 | 211292 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | |||||
CHEMBL347364 | 211711 | 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](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
44269246 | 98330 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | 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 | |||
CHEMBL275042 | 98330 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | 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 | |||
CHEMBL152986 | 208795 | 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 | |||||
CHEMBL432201 | 213631 | 0 | None | - | 0 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | |||||
118735609 | 118878 | 0 | None | - | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 118878 | 0 | None | - | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | |||
118735610 | 118879 | 0 | None | - | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 118879 | 0 | None | - | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | |||
CHEMBL2369960 | 209739 | 0 | None | - | 0 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | |||||
CHEMBL3422431 | 211668 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | |||||
CHEMBL2369969 | 209748 | 0 | None | - | 0 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | |||||
CHEMBL432027 | 213629 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | |||||
CHEMBL2371147 | 210015 | 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)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
CHEMBL358833 | 211801 | 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)N[C@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
CHEMBL2369977 | 209756 | 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](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 | |||||
CHEMBL2369961 | 209740 | 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](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 | |||||
CHEMBL2369967 | 209746 | 0 | None | - | 0 | Mouse | 8.1 | pEC50 | = | 8.1 | 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 | |||||
71152492 | 160062 | 2 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 3.9 | COc1ccc(C[C@@H](NC(=O)CCc2nc[nH]c2C)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1 | nan | |||
CHEMBL4108378 | 160062 | 2 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 3.9 | COc1ccc(C[C@@H](NC(=O)CCc2nc[nH]c2C)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1 | nan | |||
CHEMBL2371147 | 210015 | 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)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
CHEMBL264190 | 210606 | 1 | None | - | 2 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | |||||
CHEMBL329490 | 211315 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | |||||
CHEMBL154153 | 208798 | 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 | |||||
CHEMBL346925 | 211709 | 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 | |||||
11828678 | 207871 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 207871 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | |||
CHEMBL151906 | 208792 | 0 | None | - | 0 | Mouse | 7.1 | pEC50 | = | 7.1 | 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](Cc1csc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
10101361 | 155701 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 155701 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | |||
71152187 | 160681 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 534 | 14 | 3 | 6 | 2.9 | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCCCCO)(c3ccccc3C)C2)cc1 | nan | |||
CHEMBL4113490 | 160681 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 534 | 14 | 3 | 6 | 2.9 | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCCCCO)(c3ccccc3C)C2)cc1 | nan | |||
118735606 | 118877 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 118877 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | |||
CHEMBL2369982 | 209761 | 0 | None | - | 0 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | |||||
CHEMBL94369 | 215906 | 0 | None | - | 0 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | |||||
CHEMBL2369976 | 209755 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 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]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 | |||||
137653739 | 158693 | 0 | None | - | 0 | Human | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 1632 | 51 | 23 | 21 | -3.6 | 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)CN[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.7b01295 | |||
CHEMBL4093140 | 158693 | 0 | None | - | 0 | Human | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 1632 | 51 | 23 | 21 | -3.6 | 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)CN[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.7b01295 | |||
CHEMBL3348530 | 211400 | 0 | None | - | 0 | Mouse | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)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/j.bmcl.2003.10.056 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL4302939 | 213615 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL436773 | 213615 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL414778 | 213154 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | 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](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 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL393075 | 212460 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | 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 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL1834391 | 209042 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[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](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.2011.08.017 | |||||
CHEMBL1834392 | 209043 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])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.2011.08.017 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
CHEMBL2370964 | 209965 | 0 | None | - | 3 | Human | 9.5 | pIC50 | = | 9.5 | 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(N)=O | 10.1021/acs.jmedchem.7b01295 | |||||
CHEMBL413439 | 213068 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
CHEMBL2115441 | 209266 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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](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 | |||||
137639770 | 156922 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1650 | 51 | 23 | 22 | -4.1 | 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)CN[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.7b01295 | |||
CHEMBL4072387 | 156922 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1650 | 51 | 23 | 22 | -4.1 | 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)CN[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.7b01295 | |||
16132144 | 209277 | 36 | None | 30 | 4 | Human | 9.4 | pIC50 | = | 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/jm049579s | |||||
16133793 | 209277 | 36 | None | 30 | 4 | Human | 9.4 | pIC50 | = | 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/jm049579s | |||||
44273719 | 209277 | 36 | None | 30 | 4 | Human | 9.4 | pIC50 | = | 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/jm049579s | |||||
CHEMBL214332 | 209277 | 36 | None | 30 | 4 | Human | 9.4 | pIC50 | = | 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/jm049579s | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
CHEMBL503229 | 214161 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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/acs.jmedchem.7b01295 | |||||
CHEMBL503229 | 214161 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 213918 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00023a012 | |||||
CHEMBL2364555 | 209576 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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]([C@@H](C)c2c[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/jm00023a012 | |||||
1324 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
1324 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL1834393 | 209044 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | 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(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||||
CHEMBL1240919 | 208657 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)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](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O | 10.1016/j.bmc.2010.07.061 | |||||
CHEMBL438920 | 213807 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 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](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 | |||||
145987870 | 167232 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 14 | 5 | 5 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4292317 | 167232 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 14 | 5 | 5 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
54576099 | 65697 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2355 | 71 | 28 | 33 | -4.0 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
91930583 | 65697 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2355 | 71 | 28 | 33 | -4.0 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
CHEMBL1834394 | 65697 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2355 | 71 | 28 | 33 | -4.0 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
CHEMBL4301789 | 213610 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL438180 | 213610 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
54576100 | 65698 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2254 | 69 | 27 | 31 | -3.4 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
91930582 | 65698 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2254 | 69 | 27 | 31 | -3.4 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
CHEMBL1834395 | 65698 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 2254 | 69 | 27 | 31 | -3.4 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)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.2011.08.017 | |||
CHEMBL3350396 | 211477 | 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](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 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL2096742 | 209204 | 0 | None | - | 2 | Human | 9.0 | pIC50 | = | 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/jm801300c | |||||
CHEMBL2096759 | 209206 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 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](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 | |||||
137648344 | 157704 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1429 | 41 | 17 | 16 | -0.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
CHEMBL4081900 | 157704 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 1429 | 41 | 17 | 16 | -0.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
CHEMBL524861 | 215621 | 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 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
137657633 | 159679 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | |||
16152172 | 159679 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | |||
CHEMBL4104092 | 159679 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1569 | 47 | 23 | 19 | -3.1 | 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](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/acs.jmedchem.7b01295 | |||
CHEMBL502300 | 214150 | 0 | None | - | 0 | 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]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL269739 | 213611 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL4302213 | 213611 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
1334 | 1500 | 7 | None | - | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1500 | 7 | None | - | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1500 | 7 | None | - | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
44418431 | 136554 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL373821 | 136554 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL3600833 | 211812 | 0 | None | - | 0 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145993132 | 166935 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 636 | 14 | 5 | 5 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4286957 | 166935 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 636 | 14 | 5 | 5 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
1323 | 2686 | 55 | None | 10 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL410217 | 212806 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=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 | |||||
145973779 | 164730 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 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 | 164730 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 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 | |||
CHEMBL384813 | 212334 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | |||||
1334 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | |||||
16133814 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | |||||
CHEMBL437050 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b01295 | |||||
44577523 | 188941 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | 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 | |||
CHEMBL508068 | 188941 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | 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 | |||
10077258 | 15029 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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 | 15029 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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 | |||
CHEMBL214729 | 209286 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | |||||
CHEMBL525399 | 215645 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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)N1C[C@@H](NC(=N)N)C[C@H]1C(=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 | |||||
CHEMBL2372348 | 210221 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | |||||
CHEMBL2372366 | 210223 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2Cc3ccccc3C[C@H]2C(=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 | |||||
CHEMBL385566 | 212353 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | |||||
CHEMBL407913 | 212691 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | |||||
1334 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1500 | 7 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL203602 | 209158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL204310 | 209162 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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](CCC(N)=O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL266827 | 210700 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N2CCC[C@@H]2C(=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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | |||||
44315095 | 103131 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 559 | 13 | 3 | 4 | 4.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL307857 | 103131 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 559 | 13 | 3 | 4 | 4.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL264190 | 210606 | 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 | |||||
CHEMBL3600842 | 211817 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||||
CHEMBL3600835 | 211814 | 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)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 | |||||
CHEMBL3601426 | 211824 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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)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 | |||||
CHEMBL3799094 | 212266 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | 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 | |||||
44408253 | 140342 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 140342 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
44408286 | 140666 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 140666 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
44408252 | 140667 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 140667 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
71459938 | 78979 | 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]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL2113043 | 78979 | 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]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL3600840 | 211815 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145966716 | 164303 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | 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 | 164303 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | 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 | |||
122184499 | 122391 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 122391 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
145967155 | 164241 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 164241 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||
9915813 | 38487 | 15 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 38487 | 15 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||
44408154 | 141360 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 141360 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
73351850 | 89517 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1cccc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
CHEMBL2373212 | 89517 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1cccc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
145989222 | 167278 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 167278 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | |||
122184909 | 122552 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 122552 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
44408173 | 75399 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 75399 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
44408155 | 140551 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 140551 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
CHEMBL2371972 | 210167 | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCC(C3CCCCC3)CC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
11763303 | 35822 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
CHEMBL14416 | 35822 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
44275312 | 141405 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1023 | 13 | 11 | 9 | 1.9 | CCCCC(=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)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
CHEMBL384036 | 141405 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 1023 | 13 | 11 | 9 | 1.9 | CCCCC(=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)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
127047853 | 139991 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 139991 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | 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 | |||
CHEMBL3600920 | 211821 | 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](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 | |||||
118735099 | 118797 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 118797 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
137631628 | 156565 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1508 | 44 | 20 | 17 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
CHEMBL4068475 | 156565 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1508 | 44 | 20 | 17 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
122184912 | 122556 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 122556 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
145964017 | 164039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 164039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | |||
10210964 | 67241 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 67241 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
CHEMBL263822 | 210588 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | |||||
122184911 | 122554 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601429 | 122554 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
44275312 | 141405 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1023 | 13 | 11 | 9 | 1.9 | CCCCC(=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)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
CHEMBL384036 | 141405 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1023 | 13 | 11 | 9 | 1.9 | CCCCC(=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)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
CHEMBL2364550 | 209575 | 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]([C@H](C)c2c[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/jm00023a012 | |||||
168282779 | 191169 | 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 | 191169 | 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 | |||
CHEMBL413177 | 213050 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=O)N2CCC[C@H]2C(=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)C(C)C)C(=O)NCC(N)=O | 10.1021/jm020355o | |||||
54587278 | 60816 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 60816 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
44269246 | 98330 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
CHEMBL275042 | 98330 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
CHEMBL204263 | 209161 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | |||||
155548853 | 173807 | 0 | None | - | 4 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | 173807 | 0 | None | - | 4 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | |||
44349173 | 116988 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1016/j.bmcl.2003.10.056 | |||
CHEMBL338768 | 116988 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1016/j.bmcl.2003.10.056 | |||
145988152 | 167042 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | |||
CHEMBL4288909 | 167042 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | |||
137637705 | 155834 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1468 | 41 | 18 | 16 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
CHEMBL4060000 | 155834 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1468 | 41 | 18 | 16 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
71456236 | 78888 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 814 | 24 | 10 | 9 | -0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)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)01052-1 | |||
CHEMBL2112918 | 78888 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 814 | 24 | 10 | 9 | -0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)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)01052-1 | |||
122184637 | 122434 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 122434 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
CHEMBL103817 | 208457 | 0 | None | - | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | 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/acs.jmedchem.5b01894 | |||||
6918813 | 131369 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 131369 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
44408287 | 75384 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 75384 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
CHEMBL3600922 | 211823 | 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)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 | |||||
122184575 | 122425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 122425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
127046235 | 139636 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | 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 | 139636 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | 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 | |||
11813437 | 98527 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 98527 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
CHEMBL3600834 | 211813 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145964837 | 164345 | 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 | 164345 | 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 | |||
44577520 | 188822 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 188822 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
10257242 | 15028 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 15028 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
44408189 | 168877 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 168877 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
155561116 | 174971 | 0 | None | - | 4 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | 174971 | 0 | None | - | 4 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | |||
CHEMBL3601431 | 211825 | 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)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 | |||||
127046262 | 139818 | 0 | None | - | 3 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | |||
CHEMBL3798912 | 139818 | 0 | None | - | 3 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | |||
168295131 | 192240 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 192240 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||
CHEMBL526334 | 215679 | 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](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)N1CCC[C@H]1C(=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 | |||||
49862375 | 15037 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 15037 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
CHEMBL3600832 | 211811 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
11753695 | 8391 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 8391 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
122184578 | 122428 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 122428 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
CHEMBL2371712 | 210107 | 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 | |||||
CHEMBL2370906 | 209945 | 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](CC(=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](C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)c1c[nH]c2ccccc12 | 10.1021/jm00023a012 | |||||
CHEMBL4301383 | 213609 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL436858 | 213609 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
44418430 | 83253 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL218748 | 83253 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
1323 | 2686 | 55 | None | 10 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL501592 | 214139 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL500743 | 214122 | 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 | |||||
CHEMBL2310901 | 209496 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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](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 | |||||
44408190 | 96921 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 96921 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
44445085 | 97072 | 0 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 97072 | 0 | None | - | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
127053937 | 149051 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | 149051 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | |||
1338 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 3805 | 43 | None | -53 | 4 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
9808801 | 60807 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 60807 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
10483153 | 60809 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 60809 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
44408388 | 140321 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 140321 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
CHEMBL2371963 | 210158 | 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)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | |||||
10373417 | 100803 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL29317 | 100803 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL217584 | 209375 | 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](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 | |||||
10304776 | 78977 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 78977 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
CHEMBL227239 | 209449 | 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](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 | |||||
CHEMBL4299612 | 213592 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | 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(=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 | |||||
168272745 | 190521 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 190521 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
137643266 | 158372 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1552 | 46 | 23 | 18 | -2.2 | CC(C)C[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](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(=O)O | 10.1021/acs.jmedchem.7b01295 | |||
CHEMBL4089770 | 158372 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1552 | 46 | 23 | 18 | -2.2 | CC(C)C[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](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(=O)O | 10.1021/acs.jmedchem.7b01295 | |||
15953833 | 78972 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 78972 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
137642298 | 158246 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1469 | 44 | 19 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
CHEMBL4088516 | 158246 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1469 | 44 | 19 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)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/acs.jmedchem.7b01295 | |||
145977650 | 163832 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
CHEMBL4206406 | 163832 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
44408275 | 75417 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 75417 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | |||
44408276 | 75505 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 75505 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | |||
122184635 | 122432 | 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 | 122432 | 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 | |||
145988867 | 167101 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | |||
CHEMBL4289983 | 167101 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | |||
122184633 | 122430 | 0 | None | - | 1 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600914 | 122430 | 0 | None | - | 1 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
122184634 | 122431 | 0 | None | - | 0 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600915 | 122431 | 0 | None | - | 0 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
155536962 | 172235 | 0 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 923 | 9 | 8 | 10 | -0.6 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4474215 | 172235 | 0 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 923 | 9 | 8 | 10 | -0.6 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
73354641 | 89450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 838 | 22 | 10 | 8 | 0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)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)01052-1 | |||
CHEMBL2371219 | 89450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 838 | 22 | 10 | 8 | 0.6 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)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)01052-1 | |||
CHEMBL389674 | 212431 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
155546131 | 173528 | 0 | None | - | 3 | Mouse | 4.6 | pIC50 | = | 4.6 | 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 | 173528 | 0 | None | - | 3 | Mouse | 4.6 | pIC50 | = | 4.6 | 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 | |||
CHEMBL417853 | 213236 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)CNCCCN=C(N)N)C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00164-1 | |||||
CHEMBL3600913 | 211820 | 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](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 | |||||
10373417 | 100803 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL29317 | 100803 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 863 | 22 | 9 | 8 | 1.4 | CCCCC(=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(=O)NCC(N)=O)CCc2c(cccc2N(C)C)C1 | 10.1016/s0960-894x(02)00830-2 | |||
122184636 | 122433 | 0 | None | - | 0 | 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)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 | 122433 | 0 | None | - | 0 | 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)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 | |||
118735100 | 118798 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 118798 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
137659949 | 159130 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | |||
CHEMBL4097903 | 159130 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | |||
CHEMBL413260 | 213057 | 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](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 | |||||
CHEMBL4299619 | 213593 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | 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(=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 | |||||
168295644 | 192310 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 192310 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
54586246 | 60815 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 60815 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | |||
127053936 | 152238 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 152238 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
44373317 | 119656 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 787 | 22 | 9 | 9 | 0.0 | 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](Cc1csc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
CHEMBL346930 | 119656 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 787 | 22 | 9 | 9 | 0.0 | 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](Cc1csc2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
145973975 | 164655 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 164655 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
71456245 | 78974 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 78974 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
CHEMBL2371964 | 210159 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL3350330 | 211470 | 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]([C@@H](C)c2c[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/jm00023a012 | |||||
44269217 | 30258 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 30258 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | |||
CHEMBL413451 | 213613 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
CHEMBL4302609 | 213613 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010408m | |||||
163196518 | 192127 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 192127 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | |||
44577510 | 188733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 188733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
122184576 | 122426 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 122426 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
118735101 | 118799 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 118799 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
44373198 | 52164 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 848 | 22 | 10 | 8 | 0.1 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Br)cc1)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)01052-1 | |||
CHEMBL158808 | 52164 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 848 | 22 | 10 | 8 | 0.1 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Br)cc1)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)01052-1 | |||
44373177 | 119829 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 804 | 22 | 10 | 8 | -0.0 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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)01052-1 | |||
CHEMBL348511 | 119829 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 804 | 22 | 10 | 8 | -0.0 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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)01052-1 | |||
CHEMBL204864 | 209164 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
122184577 | 122427 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 122427 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
11038873 | 171878 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 171878 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
145966490 | 164360 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 164360 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
54584302 | 60810 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 60810 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
155551202 | 173957 | 0 | None | - | 0 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4541505 | 173957 | 0 | None | - | 0 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
145990599 | 166853 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 166853 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
CHEMBL455070 | 213997 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | |||||
49862378 | 15040 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 15040 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
CHEMBL264190 | 210606 | 1 | None | - | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | 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/acs.jmedchem.5b01894 | |||||
CHEMBL3600912 | 211819 | 0 | None | - | 1 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
44418421 | 168591 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
CHEMBL435923 | 168591 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
CHEMBL3600843 | 211818 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL508501 | 214940 | 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](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 | |||||
CHEMBL413573 | 213073 | 0 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | 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](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
73350149 | 89451 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
CHEMBL2371220 | 89451 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
24774519 | 94852 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 94852 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
24774602 | 168929 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL438744 | 168929 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
137643076 | 158463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1551 | 46 | 23 | 18 | -2.8 | CC(C)C[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](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/acs.jmedchem.7b01295 | |||
CHEMBL4090684 | 158463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1551 | 46 | 23 | 18 | -2.8 | CC(C)C[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](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/acs.jmedchem.7b01295 | |||
145972289 | 164518 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4214826 | 164518 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
127047336 | 139796 | 0 | None | - | 3 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | 139796 | 0 | None | - | 3 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | |||
CHEMBL376614 | 212250 | 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](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
168274393 | 190103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 190103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
CHEMBL437802 | 213732 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@H](Cc2c[n+](OCc3ccccc3)c[nH]2)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(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | |||||
133053557 | 163704 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4204975 | 163704 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44422999 | 168853 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 168853 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
168296790 | 192344 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 192344 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
118735103 | 118801 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 118801 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
CHEMBL387038 | 212402 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=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(C)C)C(=O)NCC(N)=O | 10.1021/jm020355o | |||||
145976444 | 163961 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 163961 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
10213106 | 72424 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 892 | 24 | 9 | 8 | 2.9 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccc(OCC)cc2)CC1 | 10.1016/j.bmcl.2005.08.012 | |||
CHEMBL198772 | 72424 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 892 | 24 | 9 | 8 | 2.9 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccc(OCC)cc2)CC1 | 10.1016/j.bmcl.2005.08.012 | |||
10123761 | 99491 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL283214 | 99491 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL2371969 | 210164 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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](C(C)C)NC1=O | 10.1021/jm0614275 | |||||
44269189 | 98336 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 98336 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||
44269214 | 98492 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 98492 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | |||
CHEMBL2371962 | 210157 | 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]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL263948 | 210597 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | |||||
145980719 | 166494 | 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 | 166494 | 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 | |||
CHEMBL228194 | 209451 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL384413 | 212323 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm030452x | |||||
CHEMBL414966 | 213165 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | |||||
CHEMBL439165 | 213826 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm030452x | |||||
49862425 | 15058 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 15058 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
73345549 | 89449 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
CHEMBL2371218 | 89449 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 820 | 22 | 10 | 8 | 0.5 | CCCC(=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)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
6918707 | 104190 | 1 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 601 | 14 | 5 | 4 | 3.7 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(=N)N)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL309807 | 104190 | 1 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 601 | 14 | 5 | 4 | 3.7 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(=N)N)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
10123761 | 99491 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL283214 | 99491 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 898 | 21 | 9 | 7 | 2.1 | CCCCC(=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(=O)NCC(N)=O)CCc2c(Br)cccc2C1 | 10.1016/s0960-894x(02)00830-2 | |||
52918026 | 60806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 60806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
132938008 | 159511 | 0 | None | - | 3 | Mouse | 5.3 | pIC50 | = | 5.3 | 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 | 159511 | 0 | None | - | 3 | Mouse | 5.3 | pIC50 | = | 5.3 | 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 | |||
10304547 | 168250 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 168250 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
145971389 | 164631 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 164631 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
168273291 | 190530 | 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 | 190530 | 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 | |||
CHEMBL376339 | 212242 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
44372933 | 119911 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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)01052-1 | |||
CHEMBL349298 | 119911 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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)01052-1 | |||
44277696 | 101203 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 101203 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
44277696 | 101203 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 101203 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
44431513 | 145807 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 145807 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
44275263 | 161924 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1022 | 13 | 11 | 9 | 1.5 | 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)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
CHEMBL415341 | 161924 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1022 | 13 | 11 | 9 | 1.5 | 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)C2(CCc3c(Cl)cccc3C2)NC1=O | 10.1016/s0960-894x(03)00114-8 | |||
118735102 | 118800 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 118800 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
CHEMBL411359 | 212877 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||||
CHEMBL194552 | 209097 | 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]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | |||||
71452716 | 78891 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
CHEMBL2112920 | 78891 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 781 | 22 | 9 | 8 | -0.0 | 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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)01052-1 | |||
145975465 | 163947 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | 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 | 163947 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | 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 | |||
CHEMBL264190 | 210606 | 1 | None | - | 2 | Human | 6.2 | pIC50 | = | 6.2 | 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/jm960840h | |||||
10282847 | 122963 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 122963 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
CHEMBL302703 | 210912 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm960840h | |||||
CHEMBL414177 | 213115 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N2CCC[C@@H]2C(=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)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C | 10.1021/jm020355o | |||||
CHEMBL2371966 | 210161 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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]2CCCN2C1=O | 10.1021/jm0614275 | |||||
57854192 | 153047 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 153047 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | |||
122184914 | 122557 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 122557 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||
127047475 | 139747 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | 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 | 139747 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | 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 | 139747 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | 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 | |||
168273822 | 190568 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 190568 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||
168285801 | 191479 | 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]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 | 191479 | 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]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 | |||
44373197 | 119471 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 800 | 23 | 10 | 9 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)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)01052-1 | |||
CHEMBL345234 | 119471 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 800 | 23 | 10 | 9 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)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)01052-1 | |||
127047913 | 139922 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | 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 | 139922 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | 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 | |||
24774438 | 94853 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 94853 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
CHEMBL2371967 | 210162 | 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]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | |||||
9919056 | 141067 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 848 | 22 | 9 | 7 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | |||
CHEMBL382511 | 141067 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 848 | 22 | 9 | 7 | 2.5 | CCCCC(=O)N[C@]1(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)NCC(N)=O)CC[C@H](c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.012 | |||
49862377 | 15039 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 15039 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
44417554 | 168837 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 867 | 15 | 10 | 9 | -0.7 | CC(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | |||
CHEMBL437899 | 168837 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 867 | 15 | 10 | 9 | -0.7 | CC(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | |||
44577514 | 172453 | 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 | 172453 | 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 | |||
54584301 | 60808 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 60808 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | |||
CHEMBL2371965 | 210160 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
CHEMBL3600736 | 211810 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145994283 | 167376 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 680 | 14 | 5 | 5 | 2.9 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4294862 | 167376 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 680 | 14 | 5 | 5 | 2.9 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
155544852 | 174937 | 0 | None | - | 4 | Mouse | 5.1 | pIC50 | = | 5.1 | 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 | 174937 | 0 | None | - | 4 | Mouse | 5.1 | pIC50 | = | 5.1 | 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 | |||
137651074 | 157467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1511 | 43 | 21 | 17 | -2.2 | CC(C)C[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](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/acs.jmedchem.7b01295 | |||
CHEMBL4079302 | 157467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1511 | 43 | 21 | 17 | -2.2 | CC(C)C[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](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/acs.jmedchem.7b01295 | |||
CHEMBL429730 | 213543 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=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(C)C)C(=O)NCC(N)=O | 10.1021/jm020355o | |||||
122184638 | 122435 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 122435 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
CHEMBL510270 | 215580 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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)N1C[C@H](NC(=N)N)C[C@H]1C(=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 | |||||
CHEMBL438294 | 213764 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
168278924 | 191064 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 191064 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||
CHEMBL3600921 | 211822 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
122184910 | 122553 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 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)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601428 | 122553 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 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)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
44315335 | 204835 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 11 | 3 | 4 | 1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)C1CCC(N(C)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL75475 | 204835 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 11 | 3 | 4 | 1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)C1CCC(N(C)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL3577981 | 211747 | 1 | None | - | 3 | Mouse | 5.1 | pIC50 | = | 5.1 | 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 | |||||
CHEMBL417853 | 213236 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)CNCCCN=C(N)N)C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00164-1 | |||||
CHEMBL3600841 | 211816 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
127053935 | 144183 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | 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 | 144183 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | 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 | |||
145966364 | 164118 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4209913 | 164118 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44397455 | 123841 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 123841 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
44372964 | 51745 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 838 | 22 | 10 | 8 | 0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)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)01052-1 | |||
CHEMBL158471 | 51745 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 838 | 22 | 10 | 8 | 0.3 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)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)01052-1 | |||
6918849 | 122962 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 122962 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
CHEMBL375947 | 212230 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
145976863 | 163756 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 163756 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | |||
127047624 | 139894 | 0 | None | - | 3 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | |||
CHEMBL3799408 | 139894 | 0 | None | - | 3 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | |||
88944401 | 146248 | 0 | None | 9332 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 965 | 16 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CC2CCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3920516 | 146248 | 0 | None | 9332 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 965 | 16 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CC2CCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
88944403 | 147275 | 0 | None | 6309 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 979 | 16 | 13 | 10 | -0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CC2CCCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3928766 | 147275 | 0 | None | 6309 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 979 | 16 | 13 | 10 | -0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CC2CCCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
52919529 | 152617 | 0 | None | 4466 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 1038 | 19 | 14 | 11 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3972160 | 152617 | 0 | None | 4466 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 1038 | 19 | 14 | 11 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944398 | 152953 | 0 | None | 301 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3975096 | 152953 | 0 | None | 301 | 2 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88878681 | 151714 | 0 | None | 6760 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3964400 | 151714 | 0 | None | 6760 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944369 | 150808 | 0 | None | 1412 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1029 | 21 | 16 | 11 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | nan | |||
CHEMBL3956787 | 150808 | 0 | None | 1412 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 1029 | 21 | 16 | 11 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | nan | |||
88878679 | 147483 | 0 | None | 25118 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1081 | 19 | 15 | 12 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3930415 | 147483 | 0 | None | 25118 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 1081 | 19 | 15 | 12 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944278 | 149538 | 0 | None | 6606 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 967 | 19 | 13 | 10 | -0.2 | CCCCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3946641 | 149538 | 0 | None | 6606 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 967 | 19 | 13 | 10 | -0.2 | CCCCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944180 | 152676 | 0 | None | 2951 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 987 | 20 | 14 | 11 | -1.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3972716 | 152676 | 0 | None | 2951 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 987 | 20 | 14 | 11 | -1.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
89703076 | 144188 | 0 | None | 4 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3904232 | 144188 | 0 | None | 4 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944178 | 146479 | 0 | None | 4365 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 953 | 18 | 13 | 10 | -0.5 | CCCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3922330 | 146479 | 0 | None | 4365 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 953 | 18 | 13 | 10 | -0.5 | CCCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944288 | 149902 | 0 | None | 12882 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3949338 | 149902 | 0 | None | 12882 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944293 | 153713 | 0 | None | 6606 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 965 | 15 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CCCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3981581 | 153713 | 0 | None | 6606 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 965 | 15 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CCCCC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
88878645 | 145817 | 0 | None | 22387 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1053 | 19 | 15 | 12 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3917089 | 145817 | 0 | None | 22387 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1053 | 19 | 15 | 12 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88944284 | 148524 | 0 | None | 9549 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 986 | 17 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CCc2ccccc2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3938542 | 148524 | 0 | None | 9549 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 986 | 17 | 13 | 10 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)CCc2ccccc2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
88944292 | 150596 | 0 | None | 2398 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1001 | 21 | 14 | 11 | -1.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | nan | |||
CHEMBL3955172 | 150596 | 0 | None | 2398 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1001 | 21 | 14 | 11 | -1.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | nan | |||
88944287 | 152145 | 0 | None | 5128 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 972 | 16 | 13 | 10 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3968105 | 152145 | 0 | None | 5128 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 972 | 16 | 13 | 10 | -0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
88944400 | 153289 | 0 | None | 8912 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 996 | 19 | 14 | 11 | -1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3977876 | 153289 | 0 | None | 8912 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 996 | 19 | 14 | 11 | -1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
1324 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
88878683 | 143850 | 0 | None | 1949 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 973 | 19 | 14 | 11 | -2.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O | nan | |||
CHEMBL3901634 | 143850 | 0 | None | 1949 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 973 | 19 | 14 | 11 | -2.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O | nan | |||
168281421 | 190955 | 0 | None | 89 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | 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 | 190955 | 0 | None | 89 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | 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 | |||
88944347 | 143184 | 0 | None | 13182 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3896173 | 143184 | 0 | None | 13182 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1067 | 19 | 15 | 12 | -2.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL5087859 | 215121 | 0 | None | 436 | 3 | Human | 10.2 | pKi | = | 10.2 | 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)[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 | |||||
53236833 | 146566 | 0 | None | 4168 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1024 | 19 | 14 | 11 | -1.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3922906 | 146566 | 0 | None | 4168 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 1024 | 19 | 14 | 11 | -1.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL414718 | 213149 | 0 | None | 1 | 4 | Human | 10.1 | pKi | = | 10.1 | 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(=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 | |||||
88944366 | 148019 | 0 | None | 19 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3934498 | 148019 | 0 | None | 19 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 1021 | 19 | 13 | 11 | -0.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL415165 | 213174 | 0 | None | -1 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
88590646 | 125528 | 0 | None | 3019 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 938 | 17 | 13 | 10 | -0.9 | CCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3646883 | 125528 | 0 | None | 3019 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 938 | 17 | 13 | 10 | -0.9 | CCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
1323 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
92432 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL430239 | 2686 | 55 | None | 10 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL5094168 | 215477 | 0 | None | 436 | 3 | Human | 9.8 | pKi | = | 9.8 | 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](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 | |||||
CHEMBL3663332 | 212062 | 0 | None | 1 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1 | nan | |||||
10033237 | 69069 | 0 | None | 158 | 3 | Human | 9.8 | pKi | = | 9.8 | 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 | 69069 | 0 | None | 158 | 3 | Human | 9.8 | pKi | = | 9.8 | 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 | |||
88944368 | 143500 | 0 | None | 2630 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3898758 | 143500 | 0 | None | 2630 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3663321 | 212051 | 0 | None | -3 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL266879 | 210704 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | 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 | |||||
56851057 | 69070 | 0 | None | 190 | 3 | Human | 9.6 | pKi | = | 9.6 | 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 | 69070 | 0 | None | 190 | 3 | Human | 9.6 | pKi | = | 9.6 | 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 | |||
168293710 | 192164 | 0 | None | 56 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | 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 | 192164 | 0 | None | 56 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | 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 | |||
CHEMBL3663319 | 212049 | 0 | None | -3 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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)NC(=O)[C@H](CCN)NC1=O | nan | |||||
88944367 | 148288 | 0 | None | 1548 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3936714 | 148288 | 0 | None | 1548 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1044 | 18 | 14 | 11 | -1.4 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
53236832 | 151911 | 0 | None | 1548 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1002 | 19 | 13 | 12 | -0.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3966176 | 151911 | 0 | None | 1548 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1002 | 19 | 13 | 12 | -0.3 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
168284256 | 190944 | 0 | None | 14 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | 190944 | 0 | None | 14 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | |||
44415913 | 79949 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212614 | 79949 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
168276507 | 190263 | 0 | None | 33 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | 190263 | 0 | None | 33 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | |||
168273645 | 190323 | 0 | None | 24 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | 190323 | 0 | None | 24 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | 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 | |||
88944297 | 154148 | 0 | None | 218 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1030 | 21 | 15 | 11 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O | nan | |||
CHEMBL3985463 | 154148 | 0 | None | 218 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1030 | 21 | 15 | 11 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O | nan | |||
1324 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL3663320 | 212050 | 0 | None | -9 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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)cc2Cl)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663327 | 212057 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL428326 | 213436 | 0 | None | 10 | 4 | Human | 9.3 | pKi | = | 9.3 | 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 | |||||
88944296 | 142593 | 0 | None | 60 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3891338 | 142593 | 0 | None | 60 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL2373515 | 210377 | 0 | None | -1 | 3 | Human | 9.2 | pKi | = | 9.2 | 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(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[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/jm0501432 | |||||
168295726 | 192403 | 0 | None | 56 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | 192403 | 0 | None | 56 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | |||
88944179 | 151050 | 0 | None | 1380 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 924 | 16 | 13 | 10 | -1.3 | CCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3958741 | 151050 | 0 | None | 1380 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 924 | 16 | 13 | 10 | -1.3 | CCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
44413914 | 139516 | 0 | None | 26 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL379508 | 139516 | 0 | None | 26 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
168277916 | 190675 | 0 | None | 17 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | 190675 | 0 | None | 17 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | |||
CHEMBL3663370 | 212097 | 0 | None | -2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccc(F)c(F)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
CHEMBL5092761 | 215386 | 0 | None | 501 | 3 | Human | 9.2 | pKi | = | 9.2 | 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](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 | |||||
168289404 | 191310 | 0 | None | 15 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | 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 | 191310 | 0 | None | 15 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | 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 | |||
CHEMBL5087839 | 215118 | 0 | None | 11 | 3 | Human | 9.1 | pKi | = | 9.1 | 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 | |||||
CHEMBL3663331 | 212061 | 0 | None | -5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663369 | 212096 | 0 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2F)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
168272660 | 190431 | 0 | None | 14 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | 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 | 190431 | 0 | None | 14 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | 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 | |||
CHEMBL5091236 | 215297 | 0 | None | 173 | 3 | Human | 9.1 | pKi | = | 9.1 | 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](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 | |||||
CHEMBL3663325 | 212055 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCN)NC1=O | nan | |||||
88944294 | 147929 | 0 | None | 12589 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 924 | 15 | 11 | 10 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3933740 | 147929 | 0 | None | 12589 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 924 | 15 | 11 | 10 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
16172929 | 212999 | 15 | None | 9 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL412536 | 212999 | 15 | None | 9 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL5083551 | 214867 | 0 | None | 14 | 3 | Human | 9.0 | pKi | = | 9.0 | 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]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 | |||||
44415914 | 139268 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL379054 | 139268 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL3663317 | 212047 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663318 | 212048 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663372 | 212099 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
88944290 | 149197 | 0 | None | 4677 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 996 | 19 | 14 | 11 | -1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3943941 | 149197 | 0 | None | 4677 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 996 | 19 | 14 | 11 | -1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL5077095 | 214477 | 0 | None | 22 | 3 | Human | 9.0 | pKi | = | 9.0 | 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]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 | |||||
CHEMBL5075506 | 214377 | 0 | None | 457 | 3 | Human | 8.9 | pKi | = | 8.9 | 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](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 | |||||
11845450 | 138467 | 0 | None | 44 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377465 | 138467 | 0 | None | 44 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
168270124 | 189953 | 0 | None | 14 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | 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 | 189953 | 0 | None | 14 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | 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 | |||
CHEMBL5090946 | 215283 | 0 | None | 18 | 3 | Human | 8.9 | pKi | = | 8.9 | 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 | |||||
CHEMBL5075712 | 214392 | 0 | None | 77 | 3 | Human | 8.8 | pKi | = | 8.8 | 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 | |||||
16132144 | 209277 | 36 | None | 30 | 4 | Human | 8.8 | pKi | = | 8.8 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.8 | pKi | = | 8.8 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.8 | pKi | = | 8.8 | 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 | 209277 | 36 | None | 30 | 4 | Human | 8.8 | pKi | = | 8.8 | 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 | |||||
CHEMBL5077144 | 214483 | 0 | None | 32 | 3 | Human | 8.8 | pKi | = | 8.8 | 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 | |||||
168289457 | 191378 | 0 | None | 16 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | 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 | 191378 | 0 | None | 16 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | 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 | |||
168271934 | 190083 | 0 | None | 9 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | 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 | 190083 | 0 | None | 9 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | 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 | |||
1324 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
16154396 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
16197727 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
44285019 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
57514683 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
91898441 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
CHEMBL441738 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
DB04931 | 302 | 25 | None | 2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
CHEMBL1923663 | 209084 | 0 | None | 31 | 3 | Human | 8.7 | pKi | = | 8.7 | 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 | |||||
137641398 | 158314 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | 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 | 158314 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | 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 | |||
CHEMBL5093939 | 215456 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | 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 | |||||
10408 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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.2c00793 | |||||
5329 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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.2c00793 | |||||
9941379 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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.2c00793 | |||||
CHEMBL2070241 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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.2c00793 | |||||
DB11653 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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.2c00793 | |||||
10408 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | |||||
CHEMBL408257 | 212702 | 0 | None | -23 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
168277543 | 190673 | 0 | None | 8 | 3 | Human | 7.0 | pKi | = | 7 | Binding | 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 | 190673 | 0 | None | 8 | 3 | Human | 7.0 | pKi | = | 7 | Binding | 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 | |||
44569176 | 172543 | 0 | None | -19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | |||
CHEMBL448410 | 172543 | 0 | None | -19 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | |||
6918844 | 168620 | 1 | None | -309 | 4 | Human | 6.0 | pKi | = | 6 | 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 | 168620 | 1 | None | -309 | 4 | Human | 6.0 | pKi | = | 6 | 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 | |||
44434772 | 88595 | 0 | None | 3 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | 88595 | 0 | None | 3 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | |||
10178845 | 89912 | 0 | None | 4 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | 89912 | 0 | None | 4 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | |||
44434696 | 149196 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | 149196 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6 | 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 | |||
CHEMBL3663361 | 212089 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CO)NC1=O | nan | |||||
CHEMBL3667927 | 212119 | 0 | None | -776 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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(C#N)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3667931 | 212123 | 0 | None | -154 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
CHEMBL3667951 | 212143 | 0 | None | -15 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CC(=O)O)NC1=O | nan | |||||
CHEMBL3667952 | 212144 | 0 | None | -1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CC(=O)O)NC1=O | nan | |||||
CHEMBL3667953 | 212145 | 0 | None | -77 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O | nan | |||||
CHEMBL3667954 | 212146 | 0 | None | -9 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O | nan | |||||
70660696 | 150736 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 667 | 11 | 8 | 8 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3956317 | 150736 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 667 | 11 | 8 | 8 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
44434658 | 90233 | 0 | None | 2 | 4 | Mouse | 5.0 | pKi | = | 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 | 90233 | 0 | None | 2 | 4 | Mouse | 5.0 | pKi | = | 5 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
25133907 | 176722 | 0 | None | -131 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL460138 | 176722 | 0 | None | -131 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
25132525 | 176723 | 0 | None | -14 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | |||
CHEMBL460142 | 176723 | 0 | None | -14 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | |||
25132524 | 176756 | 0 | None | -56 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL460349 | 176756 | 0 | None | -56 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
25129109 | 188700 | 0 | None | -16 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | |||
CHEMBL504349 | 188700 | 0 | None | -16 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | |||
44413830 | 77948 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL209622 | 77948 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
137636965 | 156214 | 0 | None | 5 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | 156214 | 0 | None | 5 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
CHEMBL3667955 | 212147 | 0 | None | -20 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
168289584 | 191784 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | 191784 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | |||
168274920 | 190261 | 0 | None | 11 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | 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 | 190261 | 0 | None | 11 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | 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 | |||
44322787 | 105962 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL312998 | 105962 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL5094215 | 215479 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | 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]([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 | |||||
44434765 | 161769 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | 161769 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | |||
44393421 | 123101 | 0 | None | -7 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 123101 | 0 | None | -7 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
44434858 | 167249 | 0 | None | 2 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL429269 | 167249 | 0 | None | 2 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
71461662 | 79114 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 79114 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
168272615 | 190385 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | 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 | 190385 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | 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 | |||
44416135 | 80182 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL213566 | 80182 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44416135 | 80182 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1021/jm800525p | |||
CHEMBL213566 | 80182 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1021/jm800525p | |||
51346770 | 58225 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 58225 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
CHEMBL3663378 | 212105 | 0 | None | -34 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H]([C@@H](C)OCc2ccccc2)NC1=O | nan | |||||
44456219 | 155436 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 155436 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
CHEMBL3646882 | 212019 | 0 | None | -19 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3646882 | 212019 | 0 | None | -19 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | |||||
44395681 | 66868 | 0 | None | -85 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 66868 | 0 | None | -85 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
57817730 | 76921 | 0 | None | -6025 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 76921 | 0 | None | -6025 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 76921 | 0 | None | -6025 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 76921 | 0 | None | -6025 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44434772 | 88595 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 88595 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434689 | 89173 | 0 | None | 14 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89173 | 0 | None | 14 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434703 | 146106 | 0 | None | 1 | 3 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 146106 | 0 | None | 1 | 3 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44265496 | 97047 | 0 | None | 3 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 97047 | 0 | None | 3 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
9960253 | 116947 | 0 | None | -54 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 116947 | 0 | None | -54 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
23653113 | 88650 | 0 | None | 1 | 4 | Mouse | 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 | 88650 | 0 | None | 1 | 4 | Mouse | 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 | |||
44434839 | 88651 | 0 | None | 1 | 3 | Mouse | 4.9 | pKi | = | 4.9 | 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 | 88651 | 0 | None | 1 | 3 | Mouse | 4.9 | pKi | = | 4.9 | 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 | |||
44434637 | 89410 | 0 | None | -1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237052 | 89410 | 0 | None | -1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434853 | 97202 | 0 | None | 5 | 2 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 415 | 8 | 2 | 2 | 5.3 | N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL268395 | 97202 | 0 | None | 5 | 2 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 415 | 8 | 2 | 2 | 5.3 | N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434635 | 168885 | 0 | None | 1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL438334 | 168885 | 0 | None | 1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265472 | 206353 | 0 | None | 3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8742 | 206353 | 0 | None | 3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
11845440 | 138670 | 0 | None | 8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | |||
CHEMBL377778 | 138670 | 0 | None | 8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | |||
CHEMBL412523 | 212998 | 0 | None | -398 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||||
44409379 | 76520 | 0 | None | -57 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 757 | 19 | 6 | 5 | 4.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(Cl)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL206018 | 76520 | 0 | None | -57 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 757 | 19 | 6 | 5 | 4.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(Cl)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
44322924 | 107110 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL316038 | 107110 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44413829 | 78064 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL210011 | 78064 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL3663350 | 212078 | 0 | None | -18 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
137640703 | 157095 | 0 | None | 54 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | 157095 | 0 | None | 54 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
44413876 | 79742 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL211699 | 79742 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
44413876 | 79742 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | |||
CHEMBL211699 | 79742 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | |||
44413879 | 138900 | 0 | None | 64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378293 | 138900 | 0 | None | 64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL3646880 | 212017 | 0 | None | -25 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3646880 | 212017 | 0 | None | -25 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3663382 | 212109 | 0 | None | -25 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CCCN2C1=O | nan | |||||
70688853 | 76922 | 0 | None | -389 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 76922 | 0 | None | -389 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
44265639 | 10177 | 0 | None | 5 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 10177 | 0 | None | 5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
9915636 | 66822 | 0 | None | -63 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 66822 | 0 | None | -63 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44434701 | 89499 | 0 | None | 2 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89499 | 0 | None | 2 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434706 | 89595 | 0 | None | 1 | 3 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89595 | 0 | None | 1 | 3 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434855 | 90028 | 0 | None | 2 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 90028 | 0 | None | 2 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
9915636 | 66822 | 0 | None | -63 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 66822 | 0 | None | -63 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44393441 | 66427 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 66427 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434684 | 146597 | 0 | None | -3 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392315 | 146597 | 0 | None | -3 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL3646889 | 212025 | 0 | None | -33 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCNC(=O)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](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3646889 | 212025 | 0 | None | -33 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCNC(=O)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](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3663373 | 212100 | 0 | None | -9 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CO)NC1=O | nan | |||||
11846844 | 140077 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL380051 | 140077 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
25128749 | 178468 | 0 | None | -173 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | |||
CHEMBL466380 | 178468 | 0 | None | -173 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | |||
44415919 | 141586 | 0 | None | -35 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL385000 | 141586 | 0 | None | -35 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44434772 | 88595 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 88595 | 0 | None | 3 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434767 | 89733 | 0 | None | 1 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89733 | 0 | None | 1 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434781 | 89902 | 0 | None | 6 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | 89902 | 0 | None | 6 | 4 | Mouse | 5.9 | pKi | = | 5.9 | 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 | |||
44434794 | 88518 | 0 | None | 1 | 3 | Mouse | 4.9 | pKi | = | 4.9 | 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 | 88518 | 0 | None | 1 | 3 | Mouse | 4.9 | pKi | = | 4.9 | 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 | |||
10158674 | 147913 | 0 | None | -1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393359 | 147913 | 0 | None | -1 | 4 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44413831 | 78062 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL210008 | 78062 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL3663349 | 212077 | 0 | None | -144 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | nan | |||||
25133208 | 171992 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | |||
CHEMBL447117 | 171992 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | |||
CHEMBL3667956 | 212148 | 0 | None | -23 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2C)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
CHEMBL410672 | 212828 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL3663324 | 212054 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
44413880 | 77944 | 0 | None | 46 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | |||
CHEMBL209587 | 77944 | 0 | None | 46 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | |||
CHEMBL5078687 | 214578 | 0 | None | 6 | 3 | Human | 7.8 | pKi | = | 7.8 | 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](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 | |||||
CHEMBL412495 | 212996 | 0 | None | -12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL3667916 | 212111 | 0 | None | -50 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
1338 | 3805 | 43 | None | -53 | 4 | Human | 5.8 | pKi | = | 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 | 10.1016/j.bmcl.2004.06.059 | |||
9938402 | 3805 | 43 | None | -53 | 4 | Human | 5.8 | pKi | = | 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 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL339053 | 3805 | 43 | None | -53 | 4 | Human | 5.8 | pKi | = | 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 | 10.1016/j.bmcl.2004.06.059 | |||
11296600 | 122941 | 0 | None | -234 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 122941 | 0 | None | -234 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434880 | 88608 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 88608 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434848 | 88966 | 0 | None | 4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 88966 | 0 | None | 4 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
10157774 | 89299 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236842 | 89299 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434713 | 89594 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89594 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434845 | 147901 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 147901 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434766 | 154712 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 154712 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
71454518 | 79148 | 0 | None | 6 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 79148 | 0 | None | 6 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44265374 | 206486 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8825 | 206486 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
44265711 | 206987 | 0 | None | 2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9138 | 206987 | 0 | None | 2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434616 | 88693 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | 88693 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10200110 | 89731 | 0 | None | 1 | 3 | Mouse | 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 | 89731 | 0 | None | 1 | 3 | Mouse | 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 | |||
CHEMBL3646891 | 212027 | 0 | None | -25 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646891 | 212027 | 0 | None | -25 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3663355 | 212083 | 0 | None | -389 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@@H]2CCCN2C1=O | nan | |||||
44413842 | 138375 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377210 | 138375 | 0 | None | 5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
44320339 | 206121 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL85918 | 206121 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
25128751 | 173582 | 0 | None | -43 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | |||
CHEMBL453300 | 173582 | 0 | None | -43 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | |||
CHEMBL267900 | 210735 | 0 | None | -42 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL3667920 | 212114 | 0 | None | -39 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
9968756 | 89507 | 0 | None | 15 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237299 | 89507 | 0 | None | 15 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434713 | 89594 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89594 | 0 | None | 2 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434769 | 89737 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89737 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434862 | 90246 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 90246 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
10109225 | 154670 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 154670 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434766 | 154712 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 154712 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
2852098 | 205462 | 13 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8045 | 205462 | 13 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
11845438 | 137621 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL375775 | 137621 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL3663360 | 212088 | 0 | None | -91 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | nan | |||||
25133207 | 172941 | 0 | None | -63 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | |||
CHEMBL451694 | 172941 | 0 | None | -63 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | |||
25131477 | 178699 | 0 | None | -27 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 547 | 10 | 2 | 5 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN(C)C)C1=O | 10.1021/jm800525p | |||
CHEMBL468252 | 178699 | 0 | None | -27 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 547 | 10 | 2 | 5 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN(C)C)C1=O | 10.1021/jm800525p | |||
11845444 | 80065 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL213026 | 80065 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
137646333 | 157920 | 0 | None | 4 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 1756 | 21 | 19 | 21 | -2.5 | 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)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 | |||
CHEMBL4084386 | 157920 | 0 | None | 4 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 1756 | 21 | 19 | 21 | -2.5 | 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)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 | |||
25133556 | 188847 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | |||
CHEMBL506762 | 188847 | 0 | None | -3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | |||
CHEMBL264352 | 210615 | 0 | None | -32 | 4 | Human | 7.8 | pKi | = | 7.8 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
44323032 | 206602 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL89004 | 206602 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL91957 | 215903 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL3667917 | 212112 | 0 | None | -56 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
44434855 | 90028 | 0 | None | 2 | 4 | Mouse | 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 | 90028 | 0 | None | 2 | 4 | Mouse | 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 | |||
9969456 | 147615 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393125 | 147615 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434570 | 89777 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | 89777 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | |||
44434599 | 89917 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | 89917 | 0 | None | -1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | |||
44434828 | 148120 | 0 | None | -1 | 2 | Mouse | 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 | 148120 | 0 | None | -1 | 2 | Mouse | 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 | |||
44434700 | 149507 | 0 | None | -3 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | 149507 | 0 | None | -3 | 3 | Mouse | 4.8 | pKi | = | 4.8 | 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 | |||
44434614 | 151582 | 1 | None | -1 | 4 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396341 | 151582 | 1 | None | -1 | 4 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
25129107 | 173775 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | |||
CHEMBL453734 | 173775 | 0 | None | -19 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | |||
CHEMBL3667926 | 212118 | 0 | None | -245 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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](Cc2cccc(Cl)c2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44413832 | 78063 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL210009 | 78063 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
44416106 | 141444 | 0 | None | -13 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL384176 | 141444 | 0 | None | -13 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
70660676 | 148378 | 0 | None | 562 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3937437 | 148378 | 0 | None | 562 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCCN)NC1=O | nan | |||
156010247 | 177070 | 0 | None | 3 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 177070 | 0 | None | 3 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434770 | 88559 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 88559 | 0 | None | 1 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
10134057 | 88655 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 88655 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434634 | 89297 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 89297 | 0 | None | 3 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434859 | 90032 | 0 | None | 6 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 90032 | 0 | None | 6 | 4 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
44434639 | 148155 | 0 | None | 1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393557 | 148155 | 0 | None | 1 | 3 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168281969 | 191276 | 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 | 191276 | 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 | |||
44413938 | 138937 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378446 | 138937 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
44413968 | 80227 | 0 | None | 229 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL213751 | 80227 | 0 | None | 229 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL5090670 | 215275 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | 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](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 | |||||
88287941 | 128650 | 0 | None | -23 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1080 | 18 | 17 | 12 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
CHEMBL3667924 | 128650 | 0 | None | -23 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1080 | 18 | 17 | 12 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
CHEMBL3667922 | 212116 | 0 | None | -63 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
11341046 | 66878 | 0 | None | -72 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186339 | 66878 | 0 | None | -72 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
44434692 | 88523 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 88523 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434821 | 90026 | 0 | None | 3 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 90026 | 0 | None | 3 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434849 | 146854 | 0 | None | 16 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 146854 | 0 | None | 16 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
44434762 | 153008 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 153008 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434790 | 90237 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | 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 | 90237 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | 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 | |||
44265487 | 97381 | 0 | None | 1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269689 | 97381 | 0 | None | 1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
25129453 | 171764 | 0 | None | -35 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | |||
CHEMBL446757 | 171764 | 0 | None | -35 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | |||
168290510 | 191895 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | 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 | 191895 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | 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 | |||
CHEMBL5085972 | 215001 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 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](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.1c00095 | |||||
168281969 | 191276 | 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 | 191276 | 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 | |||
44416057 | 81189 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215833 | 81189 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44415918 | 141547 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL384774 | 141547 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL3663326 | 212056 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663366 | 212093 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2Cl)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
88944286 | 143029 | 0 | None | 660 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 981 | 19 | 14 | 11 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3894840 | 143029 | 0 | None | 660 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 981 | 19 | 14 | 11 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
70660654 | 150152 | 0 | None | 5011 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 830 | 17 | 12 | 11 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3951584 | 150152 | 0 | None | 5011 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 830 | 17 | 12 | 11 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
88878681 | 151714 | 0 | None | 6760 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3964400 | 151714 | 0 | None | 6760 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
70660693 | 151787 | 0 | None | 3715 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 894 | 17 | 13 | 11 | -3.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3965058 | 151787 | 0 | None | 3715 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 894 | 17 | 13 | 11 | -3.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
70660697 | 152033 | 0 | None | 616 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3967140 | 152033 | 0 | None | 616 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
88878672 | 153597 | 0 | None | 3715 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 952 | 21 | 14 | 12 | -3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3980632 | 153597 | 0 | None | 3715 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 952 | 21 | 14 | 12 | -3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
88878668 | 154283 | 0 | None | 5011 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3986527 | 154283 | 0 | None | 5011 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1010 | 19 | 14 | 11 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL1923665 | 209085 | 0 | None | -2 | 3 | Human | 8.7 | pKi | = | 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)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 | |||||
168283616 | 191237 | 0 | None | 11 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | 191237 | 0 | None | 11 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | |||
168276294 | 190506 | 0 | None | 23 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | 190506 | 0 | None | 23 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | |||
168294114 | 192188 | 0 | None | 16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | 192188 | 0 | None | 16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | 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 | |||
56851058 | 69071 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | 69071 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | 69071 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | 69071 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | |||
137637711 | 155844 | 0 | None | 20 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 871 | 11 | 14 | 12 | -3.9 | C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 10.1021/acs.jmedchem.7b00856 | |||
CHEMBL4060087 | 155844 | 0 | None | 20 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 871 | 11 | 14 | 12 | -3.9 | C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 10.1021/acs.jmedchem.7b00856 | |||
CHEMBL427666 | 213362 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | 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 | |||||
168271237 | 190486 | 0 | None | 10 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | 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 | 190486 | 0 | None | 10 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | 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 | |||
CHEMBL5090285 | 215251 | 0 | None | 3 | 3 | Human | 8.6 | pKi | = | 8.6 | 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](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 | |||||
70660679 | 153017 | 0 | None | 501 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3975629 | 153017 | 0 | None | 501 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 818 | 16 | 12 | 10 | -2.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
44322959 | 156073 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL406276 | 156073 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL2070242 | 209181 | 0 | None | -43 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | |||||
44393417 | 96589 | 0 | None | -5 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 96589 | 0 | None | -5 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
10257541 | 126340 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 126340 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
44434663 | 88513 | 0 | None | 2 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 88513 | 0 | None | 2 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434757 | 152739 | 0 | None | 1 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 649 | 12 | 2 | 4 | 8.3 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL397324 | 152739 | 0 | None | 1 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 649 | 12 | 2 | 4 | 8.3 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
10177247 | 89512 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237314 | 89512 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10211466 | 168898 | 0 | None | -269 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 168898 | 0 | None | -269 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
71458055 | 79026 | 0 | None | -39 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 79026 | 0 | None | -39 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44413881 | 137591 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL375559 | 137591 | 0 | None | -4 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
11786860 | 66332 | 1 | None | -162 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 66332 | 1 | None | -162 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
44434764 | 88558 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 88558 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434694 | 88599 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 88599 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434697 | 148691 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 148691 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434771 | 148788 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 148788 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434762 | 153008 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 153008 | 0 | None | -1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434597 | 89611 | 0 | None | 1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237530 | 89611 | 0 | None | 1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434600 | 148600 | 0 | None | -1 | 4 | Mouse | 4.7 | pKi | = | 4.7 | 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 | 148600 | 0 | None | -1 | 4 | Mouse | 4.7 | pKi | = | 4.7 | 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 | |||
9946358 | 151956 | 0 | None | -1 | 2 | Mouse | 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 | 151956 | 0 | None | -1 | 2 | Mouse | 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 | |||
44416122 | 80126 | 0 | None | -8 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 11 | 4 | 5 | 1.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL213284 | 80126 | 0 | None | -8 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 11 | 4 | 5 | 1.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44416014 | 80013 | 0 | None | -60 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212855 | 80013 | 0 | None | -60 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
137659394 | 159532 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | 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)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]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 | |||
CHEMBL4102353 | 159532 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | 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)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]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 | |||
CHEMBL3667928 | 212120 | 0 | None | -21 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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](Cc2ccccc2F)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44265672 | 10179 | 0 | None | 4 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 10179 | 0 | None | 4 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
44392514 | 123865 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 123865 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
44434867 | 88521 | 0 | None | 2 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 88521 | 0 | None | 2 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44434854 | 90027 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | 90027 | 0 | None | 1 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | |||
44265722 | 10184 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 312 | 9 | 2 | 4 | 2.8 | C=CCOC(=O)[C@H](CCCN)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159703 | 10184 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 312 | 9 | 2 | 4 | 2.8 | C=CCOC(=O)[C@H](CCCN)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434580 | 151901 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 8 | 2 | 2 | 3.5 | NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396598 | 151901 | 0 | None | -1 | 3 | Mouse | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 8 | 2 | 2 | 3.5 | NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44409338 | 168742 | 0 | None | -4466 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 739 | 19 | 7 | 6 | 3.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL437132 | 168742 | 0 | None | -4466 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 739 | 19 | 7 | 6 | 3.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
25129108 | 172694 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | |||
CHEMBL450236 | 172694 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | |||
70660688 | 143696 | 0 | None | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 783 | 13 | 10 | 9 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | |||
CHEMBL3900322 | 143696 | 0 | None | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 783 | 13 | 10 | 9 | -2.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | |||
44409257 | 140584 | 0 | None | -95 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 15 | 7 | 6 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL381357 | 140584 | 0 | None | -95 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 15 | 7 | 6 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL3639622 | 211916 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O | nan | |||||
57646437 | 76920 | 0 | None | -2089 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76920 | 0 | None | -2089 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76920 | 0 | None | -2089 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76920 | 0 | None | -2089 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
11180881 | 66819 | 1 | None | -151 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 66819 | 1 | None | -151 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
88287424 | 128648 | 0 | None | -575 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1058 | 18 | 17 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
CHEMBL3667919 | 128648 | 0 | None | -575 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1058 | 18 | 17 | 12 | -3.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
44434685 | 89169 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89169 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434690 | 89304 | 0 | None | 4 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434785 | 148789 | 0 | None | 3 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 148789 | 0 | None | 3 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44409339 | 74994 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 723 | 19 | 6 | 5 | 3.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccccc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL203252 | 74994 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 723 | 19 | 6 | 5 | 3.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccccc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
25128748 | 189989 | 0 | None | -239 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | |||
CHEMBL517108 | 189989 | 0 | None | -239 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | |||
137653925 | 158605 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 158605 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
CHEMBL3667960 | 212152 | 0 | None | -58 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3646885 | 212021 | 0 | None | -47 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646885 | 212021 | 0 | None | -47 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=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](CC(N)=O)NC1=O | nan | |||||
44434633 | 89168 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89168 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434695 | 89424 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89424 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
10292084 | 148393 | 0 | None | 10 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393755 | 148393 | 0 | None | 10 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434682 | 148602 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 148602 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
CHEMBL3667930 | 212122 | 0 | None | -34 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
11845630 | 139512 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL379490 | 139512 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL3663363 | 212091 | 0 | None | -83 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](COCc2ccccc2)NC1=O | nan | |||||
CHEMBL3663376 | 212103 | 0 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CN)NC1=O | nan | |||||
44434759 | 88514 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 88514 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434649 | 145810 | 0 | None | 2 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 12 | 2 | 2 | 6.4 | NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391705 | 145810 | 0 | None | 2 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 12 | 2 | 2 | 6.4 | NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434601 | 146466 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392223 | 146466 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44434863 | 148142 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 148142 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434768 | 154713 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 154713 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
CHEMBL3646892 | 212028 | 0 | None | -51 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646892 | 212028 | 0 | None | -51 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
CHEMBL3667958 | 212150 | 0 | None | -36 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2Cl)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
CHEMBL88185 | 215894 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CS(=O)(=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 | 10.1016/s0960-894x(03)00552-3 | |||||
88287431 | 128649 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1080 | 18 | 17 | 12 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
CHEMBL3667923 | 128649 | 0 | None | -13 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1080 | 18 | 17 | 12 | -3.8 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||
CHEMBL3667929 | 212121 | 0 | None | -43 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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(F)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44434753 | 89732 | 0 | None | -1 | 3 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89732 | 0 | None | -1 | 3 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
10137615 | 89734 | 0 | None | 4 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89734 | 0 | None | 4 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434851 | 89907 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 89907 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44265708 | 166817 | 0 | None | 2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL428480 | 166817 | 0 | None | 2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44434613 | 89587 | 0 | None | -1 | 2 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 453 | 8 | 2 | 3 | 5.1 | NCCCN(C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237479 | 89587 | 0 | None | -1 | 2 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 453 | 8 | 2 | 3 | 5.1 | NCCCN(C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44265312 | 205665 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8208 | 205665 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
11156852 | 65683 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | 65683 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | |||
59149255 | 76926 | 0 | None | -1047 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76926 | 0 | None | -1047 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76926 | 0 | None | -1047 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 76926 | 0 | None | -1047 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
CHEMBL2070374 | 209185 | 0 | None | -4677 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||||
44434884 | 88609 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 88609 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434843 | 88698 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 88698 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434654 | 90019 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 90019 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434656 | 90021 | 0 | None | 6 | 3 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 90021 | 0 | None | 6 | 3 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434782 | 90025 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 90025 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434864 | 90247 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 90247 | 0 | None | 2 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44265347 | 96965 | 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 | 96965 | 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 | |||
25133209 | 173349 | 0 | None | -53 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | |||
CHEMBL452710 | 173349 | 0 | None | -53 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | |||
CHEMBL3663377 | 212104 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CN)NC1=O | nan | |||||
44434860 | 90040 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 90040 | 0 | None | 1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44434870 | 148146 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | 148146 | 0 | None | -1 | 4 | Mouse | 5.6 | pKi | = | 5.6 | 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 | |||
44397028 | 124029 | 0 | None | -371 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 124029 | 0 | None | -371 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44265489 | 206073 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 203 | 5 | 3 | 2 | 1.6 | NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8552 | 206073 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 203 | 5 | 3 | 2 | 1.6 | NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
137658158 | 159715 | 0 | None | 16 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 159715 | 0 | None | 16 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
CHEMBL3663354 | 212082 | 0 | None | -95 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44265681 | 10181 | 0 | None | 28 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 369 | 7 | 4 | 4 | 0.6 | NC(N)=NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159700 | 10181 | 0 | None | 28 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 369 | 7 | 4 | 4 | 0.6 | NC(N)=NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44265715 | 10183 | 0 | None | 2 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 10183 | 0 | None | 2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
156015336 | 177517 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 177517 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434754 | 90234 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 90234 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434686 | 146598 | 0 | None | 3 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 146598 | 0 | None | 3 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434787 | 148790 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 148790 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434702 | 149511 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 149511 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434868 | 149549 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 149549 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434693 | 167345 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 167345 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434715 | 167506 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 593 | 10 | 2 | 3 | 7.8 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL429983 | 167506 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 593 | 10 | 2 | 3 | 7.8 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
44265589 | 206318 | 0 | None | 2 | 2 | Human | 4.5 | pKi | = | 4.5 | 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 | 206318 | 0 | None | 2 | 2 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
CHEMBL3646890 | 212026 | 0 | None | -37 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCC(=O)NCC[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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646890 | 212026 | 0 | None | -37 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCC(=O)NCC[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](CC(N)=O)NC1=O | nan | |||||
11847001 | 80226 | 0 | None | -208 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL213747 | 80226 | 0 | None | -208 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
25133210 | 169455 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | |||
CHEMBL442829 | 169455 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | |||
CHEMBL3663329 | 212059 | 0 | None | -5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663367 | 212094 | 0 | None | -5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2cccc(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
88944280 | 145082 | 0 | None | 213 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 922 | 15 | 13 | 10 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3911582 | 145082 | 0 | None | 213 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 922 | 15 | 13 | 10 | -1.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)C2CC2)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
70660691 | 151588 | 0 | None | 3311 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 814 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3963435 | 151588 | 0 | None | 3311 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 814 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
89703080 | 151908 | 0 | None | 61 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 970 | 17 | 12 | 10 | -0.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | |||
CHEMBL3966157 | 151908 | 0 | None | 61 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 970 | 17 | 12 | 10 | -0.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | |||
42630327 | 155869 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | 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 | 155869 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | 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 | |||
57646411 | 76919 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | 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 | 76919 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | 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 | |||
168284733 | 191622 | 0 | None | 6 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | 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 | 191622 | 0 | None | 6 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | 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 | |||
44323029 | 207179 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL92481 | 207179 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
168281389 | 190920 | 0 | None | 7 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | 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 | 190920 | 0 | None | 7 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | 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 | |||
CHEMBL5087814 | 215117 | 0 | None | 8 | 3 | Human | 8.4 | pKi | = | 8.4 | 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](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 | |||||
137660993 | 159445 | 0 | None | 83 | 3 | Human | 8.4 | pKi | = | 8.4 | 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 | 159445 | 0 | None | 83 | 3 | Human | 8.4 | pKi | = | 8.4 | 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 | |||
CHEMBL5080784 | 214704 | 0 | None | 9 | 3 | Human | 8.4 | pKi | = | 8.4 | 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 | |||||
44409104 | 76523 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 12 | 5 | 5 | 2.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL206033 | 76523 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 12 | 5 | 5 | 2.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
44323033 | 107150 | 0 | None | 5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL316259 | 107150 | 0 | None | 5 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL3663371 | 212098 | 0 | None | -2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)NCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O | nan | |||||
70660690 | 151488 | 0 | None | 331 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3962394 | 151488 | 0 | None | 331 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O | nan | |||
137659949 | 159130 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | |||
CHEMBL4097903 | 159130 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 3926 | 63 | 56 | 62 | -18.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2[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](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O | 10.1021/acs.jmedchem.8b00251 | |||
137641157 | 157062 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | 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 | 157062 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | 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 | |||
CHEMBL3663347 | 212075 | 0 | None | -38 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CO)NC1=O | nan | |||||
1338 | 3805 | 43 | None | -53 | 4 | Human | 6.5 | pKi | = | 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.2007.11.109 | |||
9938402 | 3805 | 43 | None | -53 | 4 | Human | 6.5 | pKi | = | 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.2007.11.109 | |||
CHEMBL339053 | 3805 | 43 | None | -53 | 4 | Human | 6.5 | pKi | = | 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.2007.11.109 | |||
44434652 | 89899 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 89899 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44410803 | 140170 | 0 | None | -288 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 140170 | 0 | None | -288 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
71461657 | 79037 | 0 | None | -11 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 79037 | 0 | None | -11 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
68342929 | 147612 | 0 | None | 32 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 825 | 13 | 12 | 9 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
CHEMBL3931237 | 147612 | 0 | None | 32 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 825 | 13 | 12 | 9 | -1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | nan | |||
44434865 | 88748 | 0 | None | 5 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 88748 | 0 | None | 5 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434690 | 89903 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 89903 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434621 | 146303 | 0 | None | 3 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 146303 | 0 | None | 3 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
16046215 | 80087 | 0 | None | -123 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 80087 | 0 | None | -123 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 80087 | 0 | None | -123 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 80087 | 0 | None | -123 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44416060 | 81316 | 0 | None | -52 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215895 | 81316 | 0 | None | -52 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44393418 | 155698 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 155698 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434662 | 88512 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235137 | 88512 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434760 | 88515 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 88515 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434841 | 88699 | 0 | None | 3 | 3 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 88699 | 0 | None | 3 | 3 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434691 | 89423 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 89423 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434699 | 89498 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 89498 | 0 | None | 1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434581 | 167049 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 167049 | 0 | None | -1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265591 | 172041 | 0 | None | 1 | 3 | Human | 4.5 | pKi | = | 4.5 | 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 | 172041 | 0 | None | 1 | 3 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44434664 | 88556 | 0 | None | 2 | 2 | Mouse | 4.5 | pKi | = | 4.5 | 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 | |||
CHEMBL235355 | 88556 | 0 | None | 2 | 2 | Mouse | 4.5 | pKi | = | 4.5 | 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 | |||
2163781 | 97375 | 9 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269653 | 97375 | 9 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
51346771 | 58224 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | 58224 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
CHEMBL3667915 | 212110 | 0 | None | -16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCS(C)(=O)=O)NC1=O | nan | |||||
44434872 | 88562 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 88562 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434651 | 89898 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 89898 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434754 | 90234 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 90234 | 0 | None | 2 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
CHEMBL3667918 | 212113 | 0 | None | -38 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2F)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
24873537 | 146059 | 0 | None | -295 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 146059 | 0 | None | -295 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
CHEMBL3644320 | 211958 | 0 | None | -75 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3644320 | 211958 | 0 | None | -75 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
137638725 | 156977 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | 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)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]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 | |||
CHEMBL4073016 | 156977 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | 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)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]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 | |||
137659790 | 159320 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | 159320 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
44323034 | 206528 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL88537 | 206528 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44413969 | 80228 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL213752 | 80228 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
44434665 | 147947 | 0 | None | 1 | 4 | Mouse | 4.5 | pKi | = | 4.5 | 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 | 147947 | 0 | None | 1 | 4 | Mouse | 4.5 | pKi | = | 4.5 | 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 | |||
CHEMBL3663328 | 212058 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C#N)NC(=O)[C@H](CCN)NC1=O | nan | |||||
70660698 | 143271 | 0 | None | 288 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3896855 | 143271 | 0 | None | 288 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 834 | 16 | 12 | 10 | -2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
44413931 | 78013 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL209789 | 78013 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL50056 | 214117 | 2 | None | 7 | 3 | Human | 7.5 | pKi | = | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm060384p | |||||
44434847 | 88955 | 0 | None | 6 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 88955 | 0 | None | 6 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434655 | 90020 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | 90020 | 0 | None | 1 | 4 | Mouse | 5.5 | pKi | = | 5.5 | 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 | |||
44434799 | 88601 | 0 | None | -1 | 2 | Mouse | 4.5 | pKi | = | 4.5 | 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 | 88601 | 0 | None | -1 | 2 | Mouse | 4.5 | pKi | = | 4.5 | 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 | |||
11249545 | 66202 | 0 | None | -61 | 4 | Human | 6.4 | pKi | = | 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 | 66202 | 0 | None | -61 | 4 | Human | 6.4 | pKi | = | 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 | |||
10132207 | 88649 | 0 | None | 7 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235797 | 88649 | 0 | None | 7 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434709 | 89773 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89773 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44393450 | 123652 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | 123652 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
9924916 | 89007 | 0 | None | -2 | 3 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236447 | 89007 | 0 | None | -2 | 3 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44569175 | 188820 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | |||
CHEMBL506272 | 188820 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | |||
137655905 | 158826 | 0 | None | 64 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | 158826 | 0 | None | 64 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
25129105 | 177017 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | |||
CHEMBL463047 | 177017 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | |||
44415912 | 139224 | 0 | None | -51 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL378837 | 139224 | 0 | None | -51 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL50056 | 214117 | 2 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | 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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||||
44322987 | 96730 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL264306 | 96730 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44434683 | 89301 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89301 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44434587 | 89436 | 0 | None | -2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89436 | 0 | None | -2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44434592 | 89513 | 0 | None | 5 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237315 | 89513 | 0 | None | 5 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434650 | 89897 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89897 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
10292876 | 147952 | 0 | None | 1 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 375 | 7 | 2 | 2 | 3.8 | NCCCN(C(=O)CCc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393387 | 147952 | 0 | None | 1 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 375 | 7 | 2 | 2 | 3.8 | NCCCN(C(=O)CCc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434659 | 147944 | 0 | None | 2 | 2 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 384 | 11 | 2 | 5 | 2.6 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393382 | 147944 | 0 | None | 2 | 2 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 384 | 11 | 2 | 5 | 2.6 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL3663352 | 212080 | 0 | None | -63 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H]([C@@H](C)O)NC1=O | nan | |||||
CHEMBL3667961 | 212153 | 0 | None | -53 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
11845813 | 139802 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL379879 | 139802 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
44443035 | 154415 | 0 | None | -6456 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 584 | 9 | 1 | 5 | 5.5 | COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F | 10.1016/j.bmcl.2007.10.032 | |||
CHEMBL398929 | 154415 | 0 | None | -6456 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 584 | 9 | 1 | 5 | 5.5 | COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F | 10.1016/j.bmcl.2007.10.032 | |||
44434661 | 88511 | 0 | None | 3 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 88511 | 0 | None | 3 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
CHEMBL3667925 | 212117 | 0 | None | -39 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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](Cc2ccccc2Cl)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
CHEMBL3667932 | 212124 | 0 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
168282596 | 190904 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 190904 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
44265751 | 106096 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL313379 | 106096 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
44409140 | 141284 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 675 | 16 | 6 | 5 | 3.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL383256 | 141284 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 675 | 16 | 6 | 5 | 3.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
70660687 | 144908 | 0 | None | 912 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 800 | 16 | 12 | 10 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3910197 | 144908 | 0 | None | 912 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 800 | 16 | 12 | 10 | -2.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
88878636 | 152849 | 0 | None | 114 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 944 | 17 | 13 | 10 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | |||
CHEMBL3974162 | 152849 | 0 | None | 114 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 944 | 17 | 13 | 10 | -1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | |||
56851059 | 69072 | 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 | 69072 | 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 | 69072 | 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 | 69072 | 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 | |||
44415920 | 80369 | 0 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL214410 | 80369 | 0 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
11993702 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
5416 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
9272 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
DB11700 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
5416 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
9272 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
DB11700 | 3591 | 18 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
11845804 | 79556 | 0 | None | 616 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL211419 | 79556 | 0 | None | 616 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL5081077 | 214715 | 0 | None | 30 | 3 | Human | 8.3 | pKi | = | 8.3 | 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 | |||||
44322986 | 106095 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL313377 | 106095 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
70660680 | 149052 | 0 | None | 251 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 836 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
CHEMBL3942841 | 149052 | 0 | None | 251 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 836 | 16 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O | nan | |||
11846669 | 80275 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL213956 | 80275 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
11341045 | 66164 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL184275 | 66164 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
57817773 | 76923 | 0 | None | -2344 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76923 | 0 | None | -2344 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76923 | 0 | None | -2344 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76923 | 0 | None | -2344 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
10325955 | 165269 | 0 | None | -36 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 165269 | 0 | None | -36 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434688 | 89171 | 0 | None | -1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236640 | 89171 | 0 | None | -1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434850 | 89172 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89172 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
9946241 | 89430 | 0 | None | 3 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237079 | 89430 | 0 | None | 3 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
58777892 | 79042 | 0 | None | -57 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 79042 | 0 | None | -57 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
CHEMBL3667921 | 212115 | 0 | None | -81 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
44415972 | 79881 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212332 | 79881 | 0 | None | -18 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL5091245 | 215298 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | 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]([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 | |||||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 6.4 | pKi | = | 6.4 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 6.4 | pKi | = | 6.4 | 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 | |||
44394079 | 126763 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 126763 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
11845272 | 80356 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL214347 | 80356 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL3663358 | 212086 | 0 | None | -69 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](C(C)C)NC1=O | nan | |||||
44434781 | 89902 | 0 | None | 6 | 4 | Mouse | 6.4 | pKi | = | 6.4 | 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 | 89902 | 0 | None | 6 | 4 | Mouse | 6.4 | pKi | = | 6.4 | 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 | |||
44435220 | 89250 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89250 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
6918814 | 127055 | 1 | None | -870 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 127055 | 1 | None | -870 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL3663362 | 212090 | 0 | None | -107 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44322958 | 107010 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL315356 | 107010 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
44322812 | 112380 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL329586 | 112380 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL3663322 | 212052 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(C#N)c2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL3663380 | 212107 | 0 | None | -8 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CO)NC1=O | nan | |||||
CHEMBL3663353 | 212081 | 0 | None | -213 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | nan | |||||
CHEMBL3663357 | 212085 | 0 | None | -1412 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](C)NC1=O | nan | |||||
44434861 | 90245 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 90245 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44434698 | 171023 | 0 | None | -1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 171023 | 0 | None | -1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44415956 | 141954 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL387246 | 141954 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | |||
44415956 | 141954 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL387246 | 141954 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
57817763 | 76925 | 0 | None | -549 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 76925 | 0 | None | -549 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 76925 | 0 | None | -549 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 76925 | 0 | None | -549 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
59149264 | 76800 | 0 | None | -3388 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76800 | 0 | None | -3388 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76800 | 0 | None | -3388 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 76800 | 0 | None | -3388 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
10270570 | 89031 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 89031 | 0 | None | 2 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44413970 | 139013 | 0 | None | 14 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378571 | 139013 | 0 | None | 14 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
25133903 | 170556 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O | 10.1021/jm800525p | |||
CHEMBL445009 | 170556 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O | 10.1021/jm800525p | |||
44265658 | 10178 | 0 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 8 | 4 | 3 | 1.4 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)O | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159698 | 10178 | 0 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 8 | 4 | 3 | 1.4 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)O | 10.1016/s0960-894x(02)00089-6 | |||
44265751 | 106096 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL313379 | 106096 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434648 | 148157 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393558 | 148157 | 0 | None | 1 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434780 | 148170 | 0 | None | 2 | 3 | Mouse | 5.4 | pKi | = | 5.4 | 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 | 148170 | 0 | None | 2 | 3 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
44397304 | 126824 | 0 | None | -371 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 126824 | 0 | None | -371 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
70682904 | 77864 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL2093089 | 77864 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44409240 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL202699 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2005.12.005 | |||
44409240 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL202699 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
44409240 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | |||
CHEMBL202699 | 74432 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | |||
44434714 | 148390 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 148390 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
44434856 | 154390 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 154390 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
44397030 | 67367 | 0 | None | -549 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 67367 | 0 | None | -549 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44265351 | 205763 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | 205763 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
11846673 | 79992 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL212766 | 79992 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
137646617 | 157542 | 0 | None | 1 | 3 | Human | 5.3 | pKi | = | 5.3 | 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 | 157542 | 0 | None | 1 | 3 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44322788 | 157381 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL407825 | 157381 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
44434704 | 89170 | 0 | None | -1 | 3 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 89170 | 0 | None | -1 | 3 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
44434707 | 149545 | 0 | None | -2 | 3 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 149545 | 0 | None | -2 | 3 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
168285904 | 191668 | 0 | None | 9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | 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 | 191668 | 0 | None | 9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | 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 | |||
10269187 | 90114 | 0 | None | 4 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238180 | 90114 | 0 | None | 4 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
137636677 | 156098 | 0 | None | 28 | 3 | Human | 6.3 | pKi | = | 6.3 | 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 | 156098 | 0 | None | 28 | 3 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
168285313 | 191399 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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](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 | 191399 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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](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 | |||
CHEMBL412494 | 212995 | 0 | None | -19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL3663323 | 212053 | 0 | None | -6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
CHEMBL1923667 | 209086 | 0 | None | -7 | 3 | Human | 8.3 | pKi | = | 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](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 | |||||
137647538 | 157960 | 0 | None | 275 | 3 | Human | 8.2 | pKi | = | 8.2 | 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)[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 | 157960 | 0 | None | 275 | 3 | Human | 8.2 | pKi | = | 8.2 | 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)[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 | |||
44434598 | 89814 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237743 | 89814 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434657 | 90232 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238341 | 90232 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44434687 | 159490 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 159490 | 0 | None | 1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
CHEMBL89270 | 215897 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | 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 | 10.1016/s0960-894x(03)00552-3 | |||||
44434690 | 89304 | 0 | None | 4 | 4 | Mouse | 6.3 | pKi | = | 6.3 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 6.3 | pKi | = | 6.3 | 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 | |||
10180932 | 89405 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237051 | 89405 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168279695 | 191133 | 0 | None | -17 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 191133 | 0 | None | -17 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
CHEMBL3639667 | 211917 | 0 | None | -64 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)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(F)c(F)c2)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
10077773 | 87265 | 4 | None | -2691 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 87265 | 4 | None | -2691 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
CHEMBL3663379 | 212106 | 0 | None | -17 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | nan | |||||
44392535 | 64270 | 0 | None | 2 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 64270 | 0 | None | 2 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
168279695 | 191133 | 0 | None | -17 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 191133 | 0 | None | -17 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
CHEMBL3663348 | 212076 | 0 | None | -48 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H]([C@@H](C)O)NC1=O | nan | |||||
CHEMBL3667962 | 212154 | 0 | None | -107 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
44434843 | 88698 | 0 | None | -1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 88698 | 0 | None | -1 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | |||
88287712 | 127559 | 0 | None | -36 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1154 | 19 | 17 | 12 | -1.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](Cc2cccc(C(N)=O)c2)NC1=O | nan | |||
CHEMBL3663364 | 127559 | 0 | None | -36 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1154 | 19 | 17 | 12 | -1.9 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](Cc2cccc(C(N)=O)c2)NC1=O | nan | |||
168295173 | 192309 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 192309 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
44413932 | 137544 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | |||
CHEMBL375440 | 137544 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | |||
10159196 | 89736 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | 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 | 89736 | 0 | None | 2 | 4 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168285313 | 191399 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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](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 | 191399 | 0 | None | -14 | 4 | Human | 6.3 | pKi | = | 6.3 | 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](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 | |||
CHEMBL5077811 | 214514 | 0 | None | 36 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
44434854 | 90027 | 0 | None | 1 | 4 | Mouse | 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 | 90027 | 0 | None | 1 | 4 | Mouse | 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 | |||
44434572 | 166590 | 0 | None | 1 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 9 | 2 | 2 | 4.6 | NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL428022 | 166590 | 0 | None | 1 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 9 | 2 | 2 | 4.6 | NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44413828 | 139291 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL379168 | 139291 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
44323015 | 111431 | 0 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL327450 | 111431 | 0 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
168277258 | 190708 | 0 | None | 5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 190708 | 0 | None | 5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | |||
6918850 | 125420 | 1 | None | -1659 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 125420 | 1 | None | -1659 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
CHEMBL3663374 | 212101 | 0 | None | -8 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
6918857 | 138707 | 1 | None | -199 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 138707 | 1 | None | -199 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44415991 | 80508 | 0 | None | -30 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL214770 | 80508 | 0 | None | -30 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44415991 | 80508 | 0 | None | -30 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1021/jm800525p | |||
CHEMBL214770 | 80508 | 0 | None | -30 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1021/jm800525p | |||
44265707 | 10182 | 0 | None | 2 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 10182 | 0 | None | 2 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
10293285 | 89610 | 0 | None | 2 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237528 | 89610 | 0 | None | 2 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44322895 | 163368 | 0 | None | 11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL419307 | 163368 | 0 | None | 11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44323031 | 168076 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL432565 | 168076 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL3663368 | 212095 | 0 | None | -10 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccc(C#N)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||||
10408 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | |||||
137631599 | 156524 | 0 | None | 109 | 3 | Human | 8.2 | pKi | = | 8.2 | 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 | 156524 | 0 | None | 109 | 3 | Human | 8.2 | pKi | = | 8.2 | 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 | |||
11181804 | 128505 | 0 | None | -537 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 128505 | 0 | None | -537 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44434611 | 88612 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 88612 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
10108894 | 89735 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237693 | 89735 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
44434584 | 151940 | 0 | None | -2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396638 | 151940 | 0 | None | -2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10232787 | 140379 | 0 | None | -831 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 140379 | 0 | None | -831 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44434690 | 89304 | 0 | None | 4 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | |||
44434647 | 89588 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 89588 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
44434603 | 89911 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 89911 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | |||
11845276 | 80051 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL212976 | 80051 | 0 | None | -4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | |||
168295173 | 192309 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 192309 | 0 | None | -14 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44322977 | 111567 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL328117 | 111567 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44577094 | 178645 | 0 | None | -1862 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 178645 | 0 | None | -1862 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
25131478 | 169506 | 0 | None | -44 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 574 | 10 | 5 | 6 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O | 10.1021/jm800525p | |||
CHEMBL443396 | 169506 | 0 | None | -44 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 574 | 10 | 5 | 6 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O | 10.1021/jm800525p | |||
44322957 | 206209 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL86573 | 206209 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44434763 | 151341 | 0 | None | 3 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | 151341 | 0 | None | 3 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | |||
44265496 | 97047 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL267020 | 97047 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
10025669 | 97390 | 0 | None | 39 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL269776 | 97390 | 0 | None | 39 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
44434759 | 88514 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 88514 | 0 | None | 1 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | |||
11847312 | 79760 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL211798 | 79760 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
25132867 | 172496 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | |||
CHEMBL448337 | 172496 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | |||
168296647 | 192473 | 0 | None | 33 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 192473 | 0 | None | 33 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | |||
44434857 | 154425 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 154425 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10291369 | 168920 | 0 | None | 3 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL438672 | 168920 | 0 | None | 3 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
24740419 | 148192 | 0 | None | -2570 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 148192 | 0 | None | -2570 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
70660651 | 151884 | 0 | None | 15 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 738 | 11 | 9 | 9 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3965807 | 151884 | 0 | None | 15 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 738 | 11 | 9 | 9 | -1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
16007263 | 79794 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL211975 | 79794 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44434761 | 89165 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 89165 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | |||
CHEMBL385556 | 212352 | 0 | None | -29 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
44400934 | 70611 | 0 | None | -3388 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 70611 | 0 | None | -3388 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
10225762 | 145815 | 0 | None | 3 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 145815 | 0 | None | 3 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | |||
44434605 | 149512 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | 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 | 149512 | 0 | None | 2 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL3646884 | 212020 | 0 | None | -53 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646884 | 212020 | 0 | None | -53 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | |||||
168285101 | 191642 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 191642 | 0 | None | 16 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | |||
44434855 | 90028 | 0 | None | 2 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | 90028 | 0 | None | 2 | 4 | Mouse | 6.2 | pKi | = | 6.2 | 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 | |||
44265496 | 97047 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 97047 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44400935 | 70860 | 0 | None | -4570 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 70860 | 0 | None | -4570 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
70660695 | 154308 | 0 | None | 1412 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 823 | 15 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3986675 | 154308 | 0 | None | 1412 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 823 | 15 | 12 | 10 | -2.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
59149266 | 76924 | 0 | None | -4073 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 76924 | 0 | None | -4073 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 76924 | 0 | None | -4073 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 76924 | 0 | None | -4073 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
10025669 | 97390 | 0 | None | 39 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269776 | 97390 | 0 | None | 39 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
10304463 | 76772 | 0 | None | -72 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 76772 | 0 | None | -72 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
10283036 | 140241 | 0 | None | -1202 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 140241 | 0 | None | -1202 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
71452732 | 79032 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 79032 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44409206 | 140182 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 13 | 4 | 4 | 4.8 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL380437 | 140182 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 13 | 4 | 4 | 4.8 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
44434561 | 89586 | 0 | None | 1 | 2 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 433 | 13 | 1 | 2 | 6.6 | CCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237478 | 89586 | 0 | None | 1 | 2 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 433 | 13 | 1 | 2 | 6.6 | CCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168286369 | 191710 | 0 | None | -12 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 191710 | 0 | None | -12 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
CHEMBL2070244 | 209182 | 0 | None | -72 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||||
CHEMBL3663382 | 212109 | 0 | None | -25 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CCCN2C1=O | nan | |||||
44434666 | 88557 | 0 | None | -1 | 4 | Mouse | 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 | 88557 | 0 | None | -1 | 4 | Mouse | 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 | |||
44434595 | 148870 | 0 | None | 1 | 3 | Mouse | 5.1 | pKi | = | 5.1 | 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 | 148870 | 0 | None | 1 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 419 | 9 | 2 | 3 | 5.6 | CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265719 | 207128 | 0 | None | 1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9219 | 207128 | 0 | None | 1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44432966 | 146299 | 0 | None | -7943 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 146299 | 0 | None | -7943 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
1338 | 3805 | 43 | None | -53 | 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 | 10.1021/jm0311285 | |||
9938402 | 3805 | 43 | None | -53 | 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 | 10.1021/jm0311285 | |||
CHEMBL339053 | 3805 | 43 | None | -53 | 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 | 10.1021/jm0311285 | |||
44434653 | 145813 | 0 | None | 2 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | 145813 | 0 | None | 2 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | |||
44434636 | 89298 | 0 | None | -1 | 4 | Mouse | 5.1 | pKi | = | 5.1 | 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 | 89298 | 0 | None | -1 | 4 | Mouse | 5.1 | pKi | = | 5.1 | 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 | |||
168283984 | 191244 | 0 | None | -11 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 191244 | 0 | None | -11 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
25132866 | 172609 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | |||
CHEMBL449131 | 172609 | 0 | None | -199 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | |||
CHEMBL3663365 | 212092 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O | nan | |||||
57646441 | 76918 | 0 | None | -66 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | 76918 | 0 | None | -66 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
CHEMBL5080489 | 214687 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | |||||
CHEMBL415661 | 213196 | 0 | None | -57 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | |||||
CHEMBL3663351 | 212079 | 0 | None | -81 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CO)NC1=O | nan | |||||
44434772 | 88595 | 0 | None | 3 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | 88595 | 0 | None | 3 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | |||
CHEMBL2070373 | 209184 | 0 | None | -1047 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||||
44577063 | 188098 | 0 | None | -1513 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 188098 | 0 | None | -1513 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
CHEMBL3667957 | 212149 | 0 | None | -20 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](Cc2ccccc2Cl)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
44434797 | 88600 | 0 | None | -1 | 2 | Mouse | 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 | 88600 | 0 | None | -1 | 2 | Mouse | 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 | |||
44434632 | 146307 | 0 | None | 1 | 4 | Mouse | 5.1 | pKi | = | 5.1 | 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 | 146307 | 0 | None | 1 | 4 | Mouse | 5.1 | pKi | = | 5.1 | 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 | |||
137659790 | 159320 | 0 | None | 5 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | 159320 | 0 | None | 5 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
CHEMBL3646886 | 212022 | 0 | None | -29 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | |||||
CHEMBL3646886 | 212022 | 0 | None | -29 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=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](CC(N)=O)NC1=O | nan | |||||
24740655 | 89084 | 0 | None | -14125 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 89084 | 0 | None | -14125 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
44413930 | 138646 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377620 | 138646 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
168271899 | 190599 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | 190599 | 0 | None | -12 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||
10291370 | 145964 | 0 | None | 1 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | 145964 | 0 | None | 1 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | |||
44409337 | 170459 | 0 | None | -39 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 721 | 19 | 7 | 6 | 3.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL444883 | 170459 | 0 | None | -39 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 721 | 19 | 7 | 6 | 3.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
44322923 | 206544 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL88630 | 206544 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44410802 | 140383 | 0 | None | -489 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 140383 | 0 | None | -489 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
CHEMBL3663359 | 212087 | 0 | None | -173 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](CC(N)=O)NC1=O | nan | |||||
44434855 | 90028 | 0 | None | 2 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | 90028 | 0 | None | 2 | 4 | Mouse | 6.1 | pKi | = | 6.1 | 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 | |||
44265749 | 207220 | 0 | None | 4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9274 | 207220 | 0 | None | 4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL3663356 | 212084 | 0 | None | -436 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | nan | |||||
25132864 | 172600 | 0 | None | -63 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | |||
CHEMBL449050 | 172600 | 0 | None | -63 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | |||
CHEMBL3663375 | 212102 | 0 | None | -89 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | nan | |||||
70684954 | 77817 | 0 | None | 2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL2092821 | 77817 | 0 | None | 2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44413913 | 138671 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377779 | 138671 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
44409103 | 140121 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 628 | 15 | 5 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCN=C(N)N | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL380120 | 140121 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 628 | 15 | 5 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCN=C(N)N | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL3663330 | 212060 | 0 | None | -9 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@H](CCN)NC1=O | nan | |||||
88944295 | 142973 | 0 | None | 1122 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 910 | 15 | 11 | 10 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
CHEMBL3894392 | 142973 | 0 | None | 1122 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 910 | 15 | 11 | 10 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | nan | |||
137660671 | 159216 | 0 | None | 147 | 3 | Human | 8.0 | pKi | = | 8.0 | 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 | 159216 | 0 | None | 147 | 3 | Human | 8.0 | pKi | = | 8.0 | 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 | |||
168278271 | 191113 | 0 | None | 30 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | 191113 | 0 | None | 30 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | |||
CHEMBL5076315 | 214426 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | 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](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 | |||||
CHEMBL407809 | 212683 | 0 | None | -35 | 4 | Human | 8.0 | pKi | = | 8 | 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 | |||||
44434631 | 89167 | 0 | None | - | 1 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 379 | 8 | 3 | 3 | 4.1 | CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236629 | 89167 | 0 | None | - | 1 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 379 | 8 | 3 | 3 | 4.1 | CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44322994 | 106995 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL315258 | 106995 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
168273045 | 190252 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | 190252 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
CHEMBL3667959 | 212151 | 0 | None | -11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCC(N)=O)NC1=O | nan | |||||
10155513 | 151539 | 0 | None | 4 | 4 | Mouse | 5.0 | pKi | = | 5.0 | 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 | 151539 | 0 | None | 4 | 4 | Mouse | 5.0 | pKi | = | 5.0 | 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 | |||
44432932 | 87752 | 0 | None | -2818 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 87752 | 0 | None | -2818 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
44434758 | 88692 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | 88692 | 0 | None | 1 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | |||
CHEMBL3663381 | 212108 | 0 | None | -15 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@@H]2CCCN2C1=O | nan | |||||
44416152 | 81096 | 0 | None | -181 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215576 | 81096 | 0 | None | -181 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44434690 | 89304 | 0 | None | 4 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | 89304 | 0 | None | 4 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | |||
44434778 | 89741 | 0 | None | 3 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | 89741 | 0 | None | 3 | 4 | Mouse | 6.0 | pKi | = | 6.0 | 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 | |||
44265315 | 205930 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 485 | 15 | 5 | 4 | 4.6 | NCCCCNC(=O)[C@H](CCCCNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8418 | 205930 | 0 | None | 2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 485 | 15 | 5 | 4 | 4.6 | NCCCCNC(=O)[C@H](CCCCNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
25132526 | 188921 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | |||
CHEMBL507876 | 188921 | 0 | None | -52 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | |||
1321 | 1940 | 0 | None | -31 | 3 | Human | 7.0 | pKd | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
1328 | 1941 | 0 | None | -63 | 4 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9832440 | |||||
1329 | 314 | 0 | None | 19 | 3 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7935841 | |||||
1329 | 314 | 0 | None | 19 | 3 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9454589 | |||||
1322 | 2677 | 0 | None | - | 1 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10764951 | |||||
1325 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
1325 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
6440621 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
6440621 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
9898183 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
9898183 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
CHEMBL3422426 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
CHEMBL3422426 | 3598 | 14 | None | -10 | 7 | Human | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
None | 216307 | 0 | 125I-NDP-MSH | 11 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
None | 216307 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | 11 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
None | 216308 | 0 | 125I-NDP-MSH | 7 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | 216308 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | 7 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | |||
11993702 | 3591 | 18 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
5416 | 3591 | 18 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
9272 | 3591 | 18 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
DB11700 | 3591 | 18 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
134611880 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
16132265 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
3633 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
4931 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
CHEMBL1201610 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
DB01285 | 277 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
10408 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 719 | 28 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | 3591 | 18 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
5416 | 3591 | 18 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
9272 | 3591 | 18 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
CHEMBL3301624 | 3591 | 18 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
DB11700 | 3591 | 18 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
134611880 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
16132265 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
3633 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
4931 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
CHEMBL1201610 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
DB01285 | 277 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 |