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 |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL413212 | 215515 | None | 0 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -3 | 4 | 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 | |||||
1324 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
16154396 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
16197727 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
16197727.0 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
44285019 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
57514683 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
91898441 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
CHEMBL441738 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
DB04931 | 302 | None | 19 | Rat | Functional | pEC50 | = | 10 | 10.0 | -1 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030452x | |||||
168284256 | 191055 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | -2 | 4 | 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 | 191055 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | -2 | 4 | 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 | |||
168281421 | 191066 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | 10 | 3 | 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 | 191066 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | 10 | 3 | 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 | |||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
11993702 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702.0 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
5416 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
9272 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL3301624 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
DB11700 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
11993702.0 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
5416 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
9272 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3301624 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
DB11700 | 3593 | None | 20 | Human | Functional | pEC50 | = | 9.8 | 9.8 | 1 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
168271934 | 190194 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 4 | 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 | 190194 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -1 | 4 | 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 | |||
168289404 | 191421 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -4 | 4 | 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 | 191421 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -4 | 4 | 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 | |||
CHEMBL428615 | 215921 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -10 | 5 | 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 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.7 | 9.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
168284733 | 191733 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 4 | 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 | 191733 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 4 | 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 | |||
CHEMBL405087 | 215001 | None | 0 | Rat | Functional | pEC50 | = | 9.6 | 9.6 | -2 | 5 | 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 | 215626 | None | 0 | Rat | Functional | pEC50 | = | 9.6 | 9.6 | -4 | 5 | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | |||||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
168272660 | 190542 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -2 | 4 | 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 | 190542 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | -2 | 4 | 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 | |||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | |||||
168270124 | 190064 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -2 | 4 | 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 | 190064 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -2 | 4 | 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 | |||
168276507 | 190374 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -3 | 4 | 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 | 190374 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -3 | 4 | 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 | |||
16157270 | 215013 | None | 15 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 22 | 6 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL405282 | 215013 | None | 15 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 22 | 6 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
16157270 | 215013 | None | 15 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 22 | 6 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL405282 | 215013 | None | 15 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 22 | 6 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
168293710 | 192275 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -3 | 4 | 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 | 192275 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -3 | 4 | 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 | |||
168289457 | 191489 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -1 | 4 | 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 | 191489 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | -1 | 4 | 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 | |||
CHEMBL413912 | 215560 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -5 | 3 | 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 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
168281389 | 191031 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -1 | 4 | 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 | 191031 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -1 | 4 | 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 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
44415913 | 79982 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -5 | 3 | 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 | 79982 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -5 | 3 | 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 | |||
44416057 | 81222 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -1 | 3 | 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 | 81222 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -1 | 3 | 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 | |||
168295726 | 192514 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -6 | 4 | 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 | 192514 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -6 | 4 | 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 | |||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | |||||
10408 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -5 | 4 | 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 | 215164 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -2 | 2 | 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 | |||||
168283616 | 191348 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -1 | 4 | 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 | 191348 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -1 | 4 | 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 | |||
42630327 | 155961 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -2 | 4 | 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 | 155961 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | -2 | 4 | 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 | |||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
168271237 | 190597 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -3 | 4 | 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 | 190597 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -3 | 4 | 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 | |||
44415914 | 139357 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | -5 | 3 | 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 | 139357 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | -5 | 3 | 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 | |||
145966364 | 164215 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 3 | 3 | 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 | 164215 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 3 | 3 | 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 | |||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | |||||
16133793 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | |||||
44273719 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | |||||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | |||||
16133793 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | |||||
44273719 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | |||||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
16133793 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
44273719 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL428801 | 215933 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -26 | 5 | 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 | |||||
CHEMBL5090946 | 217775 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -12 | 4 | 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 | |||||
CHEMBL263822 | 213049 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 5 | 4 | 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 | |||||
CHEMBL5087859 | 217613 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 4 | 3 | 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 | |||||
11845450 | 138556 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -28 | 3 | 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 | 138556 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -28 | 3 | 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 | |||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | |||||
CHEMBL5083551 | 217358 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -25 | 4 | 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 | |||||
CHEMBL3600920 | 214283 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 2 | 4 | 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 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL439691 | 216309 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 5 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL438030 | 216205 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 21 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
CHEMBL267900 | 213196 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -5 | 2 | 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 | |||||
145971389 | 164728 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 2 | 4 | 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 | 164728 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 2 | 4 | 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 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL393075 | 214922 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -6 | 4 | 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 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
145973975 | 164752 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 11 | 4 | 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 | 164752 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 11 | 4 | 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 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL3752534 | 214676 | None | 1 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 25 | 4 | 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 | |||||
44416106 | 141533 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | -19 | 3 | 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 | 141533 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | -19 | 3 | 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 | |||
44413830 | 77979 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | -2 | 3 | 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 | 77979 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | -2 | 3 | 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 | |||
24774358 | 154994 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | 1 | 3 | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL400866 | 154994 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | 1 | 3 | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
137638725 | 157071 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -38 | 3 | 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 | 157071 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -38 | 3 | 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 | |||
137660671 | 159311 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -1071 | 4 | 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 | 159311 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -1071 | 4 | 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 | |||
CHEMBL411359 | 215339 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -4 | 4 | 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 | |||||
44441645 | 94180 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -93 | 3 | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL249277 | 94180 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -93 | 3 | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
44394660 | 67075 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -70 | 3 | 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 | 67075 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -70 | 3 | 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 | |||
44394654 | 124040 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -26 | 3 | 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 | 124040 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -26 | 3 | 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 | |||
25132866 | 172714 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -20 | 3 | 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 | 172714 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -20 | 3 | 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 | |||
46885761 | 8030 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -173 | 4 | 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 | 8030 | None | 0 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -173 | 4 | 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 | |||
25133556 | 188957 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -83 | 3 | 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 | 188957 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -83 | 3 | 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 | |||
122184635 | 122500 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -2 | 4 | 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 | 122500 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -2 | 4 | 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 | |||
CHEMBL2371712 | 212568 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -2 | 4 | 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 | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL5091236 | 217789 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -102 | 4 | 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 | |||||
25128751 | 173688 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -29 | 3 | 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 | 173688 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -29 | 3 | 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 | |||
71459938 | 79012 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -19 | 4 | 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 | 79012 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -19 | 4 | 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 | |||
25128749 | 178575 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -37 | 3 | 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 | 178575 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -37 | 3 | 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 | |||
CHEMBL3601426 | 214286 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -24 | 4 | 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 | |||||
11847001 | 80259 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -125 | 3 | 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 | 80259 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -125 | 3 | 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 | |||
44441641 | 94354 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -69 | 3 | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL250508 | 94354 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -69 | 3 | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
145989222 | 167376 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -6 | 4 | 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 | 167376 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -6 | 4 | 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 | |||
11328898 | 7962 | None | 25 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -95 | 4 | 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 | 7962 | None | 25 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -95 | 4 | 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 | 7962 | None | 25 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -95 | 4 | 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 | |||
46885972 | 8121 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -165 | 4 | 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 | 8121 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -165 | 4 | 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 | |||
11845630 | 139601 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -4 | 3 | 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 | 139601 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -4 | 3 | 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 | |||
25129453 | 171869 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -15 | 3 | 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 | 171869 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -15 | 3 | 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 | |||
145966490 | 164457 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 4 | 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 | 164457 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 4 | 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 | |||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL2370967 | 212429 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 3 | 2 | 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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
145980719 | 166591 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -2 | 4 | 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 | 166591 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -2 | 4 | 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 | |||
44322957 | 208669 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -18 | 3 | 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 | 208669 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -18 | 3 | 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 | |||
44408189 | 168982 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -107 | 4 | 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 | 168982 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -107 | 4 | 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 | |||
44413881 | 137680 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -4 | 3 | 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 | 137680 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -4 | 3 | 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 | |||
137635422 | 156000 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 3 | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4060816 | 156000 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -30 | 3 | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
172446133 | 195506 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | C[C@@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[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.2c01587 | |||
CHEMBL5405038 | 195506 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | C[C@@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[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.2c01587 | |||
CHEMBL5093939 | 217948 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -169 | 4 | 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 | |||||
CHEMBL2310901 | 211957 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 4 | 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 | |||||
44322958 | 107068 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -2 | 3 | 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 | 107068 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -2 | 3 | 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 | |||
CHEMBL3600843 | 214280 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 4 | 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 | |||||
CHEMBL5076315 | 216916 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -8 | 4 | 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 | |||||
CHEMBL501592 | 216629 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -37 | 4 | 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 | |||||
44322986 | 106153 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -18 | 3 | 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 | 106153 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -18 | 3 | 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 | |||
1338 | 3807 | None | 36 | Rat | Functional | pEC50 | = | 5.9 | 5.9 | -1202 | 8 | 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 | 3807 | None | 36 | Rat | Functional | pEC50 | = | 5.9 | 5.9 | -1202 | 8 | 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 | 3807 | None | 36 | Rat | Functional | pEC50 | = | 5.9 | 5.9 | -1202 | 8 | 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 | |||
44394093 | 127306 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -8 | 3 | 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 | 127306 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -8 | 3 | 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 | |||
CHEMBL217584 | 211836 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -74 | 3 | 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 | |||||
11846673 | 80025 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -5 | 3 | 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 | 80025 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -5 | 3 | 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 | |||
CHEMBL500743 | 216612 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 4 | 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 | |||||
44394786 | 124147 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 3 | 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 | 124147 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 3 | 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 | |||
CHEMBL2096759 | 211667 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -21 | 4 | 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 | |||||
122184914 | 122625 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -69 | 4 | 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 | 122625 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -69 | 4 | 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 | |||
44422999 | 168958 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -446 | 4 | 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 | 168958 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -446 | 4 | 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 | |||
1338 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -616 | 8 | 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 | |||
162669632 | 182671 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 1 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787753 | 182671 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 1 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
44416152 | 81129 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -15 | 3 | 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 | 81129 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -15 | 3 | 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 | |||
44394657 | 127531 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -12 | 3 | 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 | 127531 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -12 | 3 | 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 | |||
44394583 | 122411 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -6 | 3 | 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 | 122411 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -6 | 3 | 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 | |||
25129105 | 177124 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -12 | 3 | 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 | 177124 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -12 | 3 | 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 | |||
44413968 | 80260 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -77 | 3 | 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 | 80260 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -77 | 3 | 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 | |||
137658158 | 159811 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -26 | 4 | 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 | 159811 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -26 | 4 | 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 | |||
9849434 | 177035 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 516 | 9 | 2 | 4 | 2.8 | C=CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL462044 | 177035 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 516 | 9 | 2 | 4 | 2.8 | C=CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL184968 | 211511 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -11 | 3 | 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 | |||||
25133907 | 176829 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -5 | 3 | 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 | 176829 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -5 | 3 | 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 | |||
44413914 | 139605 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -50 | 3 | 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 | 139605 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -50 | 3 | 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 | |||
CHEMBL5087814 | 217609 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -12 | 4 | 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 | |||||
44577516 | 172977 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 908 | 12 | 12 | 12 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)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 | |||
CHEMBL451535 | 172977 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 908 | 12 | 12 | 12 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)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 | |||
11273288 | 12965 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -61 | 3 | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | |||
CHEMBL1189370 | 12965 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -61 | 3 | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | |||
CHEMBL538567 | 12965 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -61 | 3 | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | |||
CHEMBL2370965 | 212427 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -2 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
162672691 | 183307 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4795842 | 183307 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672691 | 183307 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4795842 | 183307 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
44448590 | 95652 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -93 | 3 | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL257759 | 95652 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -93 | 3 | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL3600842 | 214279 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -2 | 4 | 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 | |||||
CHEMBL5077144 | 216973 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -38 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | |||||
16133793 | 211738 | None | 29 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | |||||
44273719 | 211738 | None | 29 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
137637026 | 156015 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -28 | 3 | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4060937 | 156015 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -28 | 3 | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
1338 | 3807 | None | 36 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -616 | 8 | 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 | |||
44322923 | 209004 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -19 | 3 | 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 | 209004 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -19 | 3 | 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 | |||
10325955 | 165366 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -112 | 2 | 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 | 165366 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -112 | 2 | 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 | |||
CHEMBL184326 | 211508 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -3 | 3 | 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 | |||||
CHEMBL3350396 | 213938 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -281 | 4 | 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 | |||||
137662147 | 159473 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -25 | 3 | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4100598 | 159473 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -25 | 3 | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
122184575 | 122493 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 4 | 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 | 122493 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 4 | 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 | |||
168272615 | 190496 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -31 | 4 | 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 | 190496 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -31 | 4 | 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 | |||
44416060 | 81349 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -102 | 3 | 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 | 81349 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -102 | 3 | 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 | |||
44394658 | 168440 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -5 | 3 | 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 | 168440 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -5 | 3 | 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 | |||
171378343 | 196422 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -8 | 4 | ChEMBL | 697 | 15 | 10 | 7 | -0.2 | 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]1Cc2c([nH]c3ccccc23)CNC1=O | 10.1021/acs.jmedchem.2c01794 | |||
CHEMBL5423711 | 196422 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -8 | 4 | ChEMBL | 697 | 15 | 10 | 7 | -0.2 | 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]1Cc2c([nH]c3ccccc23)CNC1=O | 10.1021/acs.jmedchem.2c01794 | |||
CHEMBL364359 | 214382 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 1 | 3 | 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 | |||||
162665450 | 182402 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 182402 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
44323031 | 168181 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -33 | 3 | 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 | 168181 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -33 | 3 | 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 | |||
CHEMBL5075712 | 216882 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -125 | 4 | 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 | |||||
44394694 | 66333 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1 | 3 | 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 | 66333 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1 | 3 | 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 | |||
CHEMBL183733 | 211506 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -13 | 3 | 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 | 216607 | None | 1 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -15 | 6 | 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 | |||||
CHEMBL203602 | 211619 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -1 | 3 | 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 | |||||
CHEMBL2370968 | 212430 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -63 | 4 | 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 | 212430 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -63 | 4 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
162665450 | 182402 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 182402 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL361252 | 214294 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 3 | 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 | |||||
11847312 | 79793 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -6 | 3 | 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 | 79793 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -6 | 3 | 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 | |||
122184638 | 122503 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 2 | 4 | 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 | 122503 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 2 | 4 | 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 | |||
CHEMBL5092761 | 217878 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -281 | 4 | 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 | |||||
10077258 | 15037 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -158 | 4 | 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 | 15037 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -158 | 4 | 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 | |||
11226756 | 120038 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -251 | 2 | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
CHEMBL349850 | 120038 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -251 | 2 | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
122184636 | 122501 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -3 | 4 | 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 | 122501 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -3 | 4 | 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 | |||
145976444 | 164058 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -1 | 4 | 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 | 164058 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -1 | 4 | 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 | |||
CHEMBL438235 | 216220 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 3 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
137638778 | 156850 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -11 | 3 | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4070639 | 156850 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -11 | 3 | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL5090670 | 217767 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -18 | 4 | 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 | |||||
168277258 | 190819 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -39 | 4 | 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 | 190819 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -39 | 4 | 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 | |||
168274920 | 190372 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -66 | 4 | 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 | 190372 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -66 | 4 | 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 | |||
CHEMBL3601431 | 214287 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -2 | 4 | 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 | |||||
172457809 | 196344 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -199 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | C[C@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[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.2c01587 | |||
CHEMBL5421885 | 196344 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -199 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | C[C@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[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.2c01587 | |||
44415919 | 141675 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 4 | 3 | 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 | 141675 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 4 | 3 | 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 | |||
CHEMBL503229 | 216651 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -2 | 4 | 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 | |||||
44577510 | 188843 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -3 | 4 | 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 | 188843 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -3 | 4 | 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 | |||
CHEMBL443071 | 216381 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -2 | 4 | 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 | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL5087839 | 217610 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -2 | 3 | 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 | |||||
10408 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
168278271 | 191224 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | 191224 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | 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 | |||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | |||||
44348200 | 160290 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 2 | 3 | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL410949 | 160290 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 2 | 3 | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL266417 | 213142 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -83 | 6 | 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 | |||||
137660993 | 159541 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -13 | 4 | 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 | 159541 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -13 | 4 | 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 | |||
118735102 | 118866 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -53 | 4 | 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 | 118866 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -53 | 4 | 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 | |||
10257242 | 15036 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -112 | 4 | 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 | 15036 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -112 | 4 | 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 | |||
9960253 | 117013 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -25 | 2 | 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 | 117013 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -25 | 2 | 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 | |||
44409240 | 74460 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -457 | 3 | 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 | 74460 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -457 | 3 | 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 | |||
44415972 | 79914 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -141 | 3 | 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 | 79914 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -141 | 3 | 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 | |||
44415956 | 142043 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -24 | 3 | 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 | 142043 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -24 | 3 | 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 | 74460 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -457 | 3 | 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 | 74460 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -457 | 3 | 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 | |||
44413832 | 78094 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -38 | 3 | 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 | 78094 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -38 | 3 | 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 | |||
11845444 | 80098 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -11 | 3 | 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 | 80098 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -11 | 3 | 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 | |||
44413969 | 80261 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -44 | 3 | 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 | 80261 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -44 | 3 | 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 | |||
44413970 | 139102 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -50 | 3 | 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 | 139102 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -50 | 3 | 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 | |||
44415956 | 142043 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -24 | 3 | 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 | 142043 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -24 | 3 | 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 | |||
44394785 | 124107 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -4 | 3 | 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 | 124107 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -4 | 3 | 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 | |||
137631599 | 156617 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -50 | 4 | 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 | 156617 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -50 | 4 | 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 | |||
11845276 | 80084 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -7 | 3 | 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 | 80084 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -7 | 3 | 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 | |||
44394695 | 123225 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 3 | 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 | 123225 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 3 | 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 | |||
CHEMBL427629 | 215818 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
137655905 | 158920 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -51 | 4 | 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 | 158920 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -51 | 4 | 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 | |||
44413828 | 139380 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -5 | 3 | 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 | 139380 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -5 | 3 | 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 | |||
25132864 | 172705 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -42 | 3 | 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 | 172705 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -42 | 3 | 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 | |||
137634090 | 156390 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -15 | 5 | 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 | 156390 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -15 | 5 | 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 | |||
CHEMBL5081077 | 217205 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -29 | 4 | 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 | |||||
9867330 | 97894 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -14 | 3 | 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 | 97894 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -14 | 3 | 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 | |||
44441684 | 94184 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -28 | 3 | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL249321 | 94184 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -28 | 3 | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
44323015 | 111496 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -25 | 3 | 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 | 111496 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -25 | 3 | 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 | |||
11845272 | 80389 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -23 | 3 | 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 | 80389 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -23 | 3 | 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 | |||
44394626 | 65805 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -14 | 3 | 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 | 65805 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -14 | 3 | 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 | |||
25132524 | 176863 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -7 | 3 | 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 | 176863 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -7 | 3 | 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 | |||
122184637 | 122502 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -3 | 4 | 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 | 122502 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -3 | 4 | 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 | |||
CHEMBL409636 | 215233 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm030119t | |||||
44397461 | 126295 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -27 | 3 | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL365005 | 126295 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -27 | 3 | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL2370963 | 212425 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -85 | 2 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44441685 | 94185 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL249322 | 94185 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | |||
118735101 | 118865 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -64 | 4 | 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 | 118865 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -64 | 4 | 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 | |||
168295131 | 192351 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 4 | 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 | 192351 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -16 | 4 | 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 | |||
11845440 | 138759 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -23 | 3 | 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 | 138759 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -23 | 3 | 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 | |||
CHEMBL50056 | 216607 | None | 1 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -15 | 6 | 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 | |||||
1338 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
1338 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | 3807 | None | 36 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -616 | 8 | 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 | |||
44448660 | 95026 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -691 | 4 | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL254589 | 95026 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -691 | 4 | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
44569175 | 188930 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -12 | 3 | 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 | 188930 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -12 | 3 | 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 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | |||||
CHEMBL410795 | 215302 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
49862425 | 15066 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -91 | 4 | 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 | 15066 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -91 | 4 | 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 | |||
CHEMBL524861 | 218113 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -17 | 4 | 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 | |||||
145990599 | 166951 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 4 | 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 | 166951 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 4 | 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 | |||
145980198 | 166781 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -1 | 3 | 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 | 166781 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -1 | 3 | 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 | |||
11846669 | 80308 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -18 | 3 | 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 | 80308 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -18 | 3 | 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 | |||
44441644 | 154928 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -69 | 3 | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL400456 | 154928 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -69 | 3 | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL434357 | 216113 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -19 | 3 | 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 | |||||
44413880 | 77975 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -10 | 3 | 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 | 77975 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -10 | 3 | 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 | |||
137659790 | 159416 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -11 | 4 | 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 | 159416 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -11 | 4 | 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 | |||
137653925 | 158699 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -64 | 4 | 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 | 158699 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -64 | 4 | 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 | |||
CHEMBL427205 | 215813 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 3 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
24774602 | 169034 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 2 | 2 | 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 | 169034 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 2 | 2 | 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 | |||
CHEMBL2115441 | 211727 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -144 | 4 | 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 | |||||
25132525 | 176830 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 3 | 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 | 176830 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 3 | 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 | |||
145971673 | 164793 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 3 | 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 | 164793 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 3 | 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 | |||
44323032 | 209062 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 3 | 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 | 209062 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 3 | 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 | |||
162672255 | 182977 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 182977 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL383250 | 214772 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -18 | 3 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
137659790 | 159416 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -11 | 4 | 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 | 159416 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -11 | 4 | 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 | |||
44413829 | 78095 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -10 | 3 | 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 | 78095 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -10 | 3 | 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 | |||
44445082 | 154391 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 2 | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398664 | 154391 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 2 | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
162672255 | 182977 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 182977 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
137656521 | 159838 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4104927 | 159838 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -12 | 3 | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
44391927 | 13996 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -57 | 3 | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | |||
CHEMBL1196971 | 13996 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -57 | 3 | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | |||
CHEMBL3216393 | 13996 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -57 | 3 | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | |||
168296647 | 192584 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -158 | 4 | 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 | 192584 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -158 | 4 | 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 | |||
44441648 | 154781 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -41 | 3 | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL399715 | 154781 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -41 | 3 | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
44413842 | 138464 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -5 | 3 | 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 | 138464 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -5 | 3 | 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 | |||
44394624 | 97069 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -60 | 3 | 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 | 97069 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -60 | 3 | 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 | |||
CHEMBL410404 | 215279 | None | 0 | Rat | Functional | pEC50 | = | 8.5 | 8.5 | -25 | 5 | 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 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
145966716 | 164400 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 18 | 4 | 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 | 164400 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 18 | 4 | 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 | |||
CHEMBL5094168 | 217969 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -42 | 4 | 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 | |||||
1334 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
16133814 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
133053557 | 163801 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 3 | 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 | 163801 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 6 | 3 | 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 | |||
137633806 | 156572 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -10 | 3 | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4067491 | 156572 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -10 | 3 | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL380638 | 214731 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 3 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
25128748 | 190100 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -8 | 3 | 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 | 190100 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -8 | 3 | 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 | |||
CHEMBL413439 | 215530 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -40 | 4 | 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 | |||||
44322924 | 107168 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -42 | 3 | 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 | 107168 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -42 | 3 | 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 | |||
44394659 | 66975 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -288 | 3 | 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 | 66975 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -288 | 3 | 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 | |||
46885712 | 8073 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -169 | 4 | 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 | 8073 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -169 | 4 | 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 | 8073 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -169 | 4 | 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 | |||
CHEMBL185869 | 211512 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -89 | 3 | 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 | |||||
137641398 | 158408 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -416 | 4 | 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 | 158408 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -416 | 4 | 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 | |||
CHEMBL411378 | 215341 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | -56 | 5 | 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 | |||||
172468229 | 196810 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -5 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | 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)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c01587 | |||
CHEMBL5432664 | 196810 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -5 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | 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)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c01587 | |||
44413938 | 139026 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 3 | 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 | 139026 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 3 | 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 | |||
44394691 | 122969 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 3 | 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 | 122969 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 3 | 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 | |||
145988867 | 167199 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 3 | 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 | 167199 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 3 | 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 | |||
44413831 | 78093 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -6 | 3 | 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 | 78093 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -6 | 3 | 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 | |||
172447505 | 195908 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -9 | 3 | ChEMBL | 872 | 11 | 11 | 9 | 0.5 | C#Cc1ccc2c(c1)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
CHEMBL5413092 | 195908 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -9 | 3 | ChEMBL | 872 | 11 | 11 | 9 | 0.5 | C#Cc1ccc2c(c1)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
122184910 | 122621 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -30 | 4 | 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 | 122621 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -30 | 4 | 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 | |||
145977650 | 163929 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 2 | 3 | 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 | 163929 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 2 | 3 | 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 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
44577519 | 188877 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | 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 | |||
CHEMBL505536 | 188877 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | 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 | |||
44394783 | 126441 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 3 | 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 | 126441 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 3 | 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 | |||
172441600 | 195257 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -77 | 4 | ChEMBL | 943 | 11 | 12 | 10 | -0.0 | C#Cc1ccc2c(c1)C(=O)N[C@H](C)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
CHEMBL5399539 | 195257 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -77 | 4 | ChEMBL | 943 | 11 | 12 | 10 | -0.0 | C#Cc1ccc2c(c1)C(=O)N[C@H](C)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
44413879 | 138989 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -112 | 3 | 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 | 138989 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -112 | 3 | 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 | |||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL89270 | 218389 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -11 | 3 | 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 | |||||
11753695 | 8395 | None | 6 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -281 | 7 | 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 | 8395 | None | 6 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -281 | 7 | 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 | |||
CHEMBL410168 | 215264 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 3 | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
46885523 | 7805 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -512 | 3 | 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 | 7805 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -512 | 3 | 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 | |||
46885711 | 8072 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -123 | 3 | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | |||
CHEMBL1091150 | 8072 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -123 | 3 | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | |||
CHEMBL446185 | 216405 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
44415912 | 139313 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -23 | 3 | 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 | 139313 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -23 | 3 | 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 | |||
44408287 | 75412 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -218 | 4 | 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 | 75412 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -218 | 4 | 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 | |||
CHEMBL2371962 | 212618 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1412 | 4 | 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 | |||||
11845804 | 79589 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -467 | 3 | 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 | 79589 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -467 | 3 | 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 | |||
CHEMBL5094215 | 217971 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -46 | 4 | 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 | |||||
168285904 | 191779 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -234 | 4 | 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 | 191779 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -234 | 4 | 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 | |||
CHEMBL263878 | 213057 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
168290510 | 192006 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | 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 | 192006 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | 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 | |||
172441036 | 195202 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -79 | 3 | ChEMBL | 944 | 11 | 12 | 11 | -0.1 | C[C@H]1NC(=O)c2cc(C#N)ccc2SC[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.2c01587 | |||
CHEMBL5398659 | 195202 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -79 | 3 | ChEMBL | 944 | 11 | 12 | 11 | -0.1 | C[C@H]1NC(=O)c2cc(C#N)ccc2SC[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.2c01587 | |||
CHEMBL5085972 | 217492 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | 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 | |||||
CHEMBL91957 | 218395 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -35 | 3 | 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 | |||||
122184909 | 122620 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -13 | 4 | 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 | 122620 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -13 | 4 | 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 | |||
CHEMBL5077811 | 217004 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -72 | 4 | 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 | |||||
CHEMBL5080489 | 217177 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -4 | 4 | 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 | |||||
145976863 | 163853 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 1 | 4 | 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 | 163853 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 1 | 4 | 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 | |||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL439128 | 216286 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
44394623 | 141625 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 2 | ChEMBL | 936 | 26 | 11 | 8 | 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)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | |||
CHEMBL384720 | 141625 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 2 | ChEMBL | 936 | 26 | 11 | 8 | 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)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | |||
44322896 | 168075 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 2 | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL431801 | 168075 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 2 | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
25133210 | 169560 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -44 | 3 | 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 | 169560 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -44 | 3 | 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 | |||
44322787 | 106020 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -6 | 3 | 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 | 106020 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -6 | 3 | 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 | |||
162669632 | 182671 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787753 | 182671 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL409049 | 215205 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
44347927 | 157368 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL407680 | 157368 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 3 | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
16007263 | 79827 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -23 | 3 | 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 | 79827 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -23 | 3 | 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 | |||
44394784 | 126363 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 3 | 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 | 126363 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 3 | 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 | |||
46885526 | 7766 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -51 | 2 | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | |||
CHEMBL1089135 | 7766 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -51 | 2 | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | |||
CHEMBL1204056 | 7766 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -51 | 2 | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | |||
44413931 | 78044 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -9 | 3 | 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 | 78044 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -9 | 3 | 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 | |||
145948876 | 167581 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 5 | 3 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL4299441 | 167581 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 5 | 3 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
44394693 | 96651 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -2 | 3 | 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 | 96651 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -2 | 3 | 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 | |||
CHEMBL382369 | 214765 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
44441647 | 154780 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -18 | 3 | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL399714 | 154780 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -18 | 3 | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
168278924 | 191175 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -22 | 4 | 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 | 191175 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -22 | 4 | 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 | |||
44569176 | 172648 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -48 | 3 | 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 | 172648 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -48 | 3 | 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 | |||
25129107 | 173881 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -36 | 3 | 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 | 173881 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -36 | 3 | 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 | |||
CHEMBL184870 | 211510 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -3 | 3 | 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 | |||||
44322959 | 156166 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -22 | 3 | 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 | 156166 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -22 | 3 | 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 | |||
44408154 | 141449 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -316 | 4 | 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 | 141449 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -316 | 4 | 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 | |||
44322788 | 157475 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -58 | 3 | 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 | 157475 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -58 | 3 | 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 | |||
44394690 | 124715 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -14 | 3 | 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 | 124715 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -14 | 3 | 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 | |||
168285101 | 191753 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -213 | 4 | 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 | 191753 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -213 | 4 | 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 | |||
46885760 | 8280 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -102 | 2 | 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)c1c(F)cccc1F | 10.1021/jm9017866 | |||
CHEMBL1092550 | 8280 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -102 | 2 | 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)c1c(F)cccc1F | 10.1021/jm9017866 | |||
44394582 | 168477 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 3 | 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 | 168477 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 3 | 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 | |||
CHEMBL3600840 | 214277 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -1 | 4 | 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 | |||||
137641157 | 157156 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -131 | 4 | 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 | 157156 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -131 | 4 | 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 | |||
44394581 | 122215 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -12 | 3 | 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 | 122215 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -12 | 3 | 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 | |||
46885482 | 8332 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -81 | 2 | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
CHEMBL1092860 | 8332 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -81 | 2 | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
44394580 | 122214 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -4 | 3 | 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 | 122214 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -4 | 3 | 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 | |||
145972289 | 164615 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 27 | 3 | 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 | 164615 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 27 | 3 | 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 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
137637283 | 156071 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -15 | 3 | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | |||
CHEMBL4061566 | 156071 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -15 | 3 | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | |||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
1323 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
92432 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -54 | 7 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
172445559 | 195459 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 4 | ChEMBL | 981 | 17 | 15 | 11 | -0.5 | CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[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/acs.jmedchem.2c01794 | |||
CHEMBL5404193 | 195459 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 4 | ChEMBL | 981 | 17 | 15 | 11 | -0.5 | CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[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/acs.jmedchem.2c01794 | |||
CHEMBL405791 | 215040 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 4 | 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 | |||||
CHEMBL2372570 | 212730 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -53 | 4 | 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 | |||||
44415920 | 80402 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 3 | 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 | 80402 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 3 | 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 | |||
1334 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16133814 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
44577515 | 189115 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 2 | 2 | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL508816 | 189115 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 2 | 2 | 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 | |||
172468014 | 196563 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -31 | 3 | ChEMBL | 934 | 11 | 13 | 11 | -0.4 | C[C@H]1NC(=O)c2cc(N)ccc2SC[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.2c01587 | |||
CHEMBL5426684 | 196563 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -31 | 3 | ChEMBL | 934 | 11 | 13 | 11 | -0.4 | C[C@H]1NC(=O)c2cc(N)ccc2SC[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.2c01587 | |||
46885415 | 8281 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -15 | 3 | 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 | 8281 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -15 | 3 | 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 | |||
168277543 | 190784 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -125 | 4 | 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 | 190784 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -125 | 4 | 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 | |||
44577510 | 188843 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -3 | 4 | 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/acs.jmedchem.2c01587 | |||
CHEMBL504986 | 188843 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -3 | 4 | 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/acs.jmedchem.2c01587 | |||
25129109 | 188809 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -30 | 3 | 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 | 188809 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -30 | 3 | 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 | |||
122184911 | 122622 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -10 | 4 | 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 | 122622 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -10 | 4 | 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 | |||
118735099 | 118863 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -4 | 4 | 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 | 118863 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -4 | 4 | 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 | |||
25133209 | 173455 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -19 | 3 | 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 | 173455 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -19 | 3 | 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 | |||
1334 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
137636965 | 156307 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -13 | 4 | 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 | 156307 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -13 | 4 | 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 | |||
44408173 | 75427 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -186 | 4 | 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 | 75427 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -186 | 4 | 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 | |||
44413876 | 79775 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -93 | 3 | 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 | 79775 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -93 | 3 | 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 | 79775 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -93 | 3 | 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 | 79775 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -93 | 3 | 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 | |||
25132526 | 189031 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -69 | 3 | 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 | 189031 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -69 | 3 | 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 | |||
118735103 | 118867 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | 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 | 118867 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | 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 | |||
44408253 | 140431 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -54 | 4 | 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 | 140431 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -54 | 4 | 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 | |||
CHEMBL183315 | 211502 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -6 | 3 | 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 | |||||
44394734 | 64578 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -4 | 3 | 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 | 64578 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -4 | 3 | 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 | |||
44577520 | 188932 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 3 | 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 | 188932 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 3 | 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 | |||
CHEMBL5078687 | 217068 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -25 | 4 | 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 | |||||
44413913 | 138760 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 3 | 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 | 138760 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 3 | 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 | |||
145988152 | 167140 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -2 | 3 | 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 | 167140 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -2 | 3 | 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 | |||
46885759 | 8278 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -95 | 3 | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | |||
CHEMBL1092548 | 8278 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -95 | 3 | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | |||
44322994 | 107053 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -60 | 3 | 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 | 107053 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -60 | 3 | 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 | |||
25129108 | 172799 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 3 | 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 | 172799 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 3 | 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 | |||
44322977 | 111632 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -8 | 3 | 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 | 111632 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -8 | 3 | 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 | |||
11061068 | 31300 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -138 | 3 | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | |||
CHEMBL140154 | 31300 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -138 | 3 | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | |||
CHEMBL2372365 | 212683 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 3 | 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 | |||||
44408155 | 140640 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -134 | 4 | 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 | 140640 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -134 | 4 | 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 | |||
44413932 | 137633 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -34 | 3 | 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 | 137633 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -34 | 3 | 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 | |||
44415918 | 141636 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | 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 | 141636 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | 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 | |||
44275650 | 94107 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 4 | 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 | 94107 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 4 | 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 | |||
44322895 | 163465 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | 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 | 163465 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | 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 | |||
CHEMBL2370964 | 212426 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -47 | 4 | 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 | 212426 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -47 | 4 | 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 | |||||
CHEMBL5080784 | 217194 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -9 | 4 | 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 | |||||
CHEMBL5090285 | 217743 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -8 | 4 | 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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
16132144 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
16133793 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
44273719 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -7 | 8 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
1324 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
16154396 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
16197727 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
16197727.0 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
44285019 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
57514683 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
91898441 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
DB04931 | 302 | None | 19 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -15 | 8 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | |||||
162670951 | 182944 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 182944 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
46885558 | 7811 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -151 | 2 | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccncn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
CHEMBL1089483 | 7811 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -151 | 2 | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccncn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
162670951 | 182944 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 182944 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL509582 | 218036 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -16 | 3 | 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 | |||||
172449425 | 195974 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -467 | 4 | ChEMBL | 1148 | 14 | 16 | 18 | -2.8 | C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[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.2c01587 | |||
CHEMBL5414451 | 195974 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -467 | 4 | ChEMBL | 1148 | 14 | 16 | 18 | -2.8 | C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[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.2c01587 | |||
137637656 | 156329 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -69 | 3 | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4064777 | 156329 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -69 | 3 | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL411400 | 215343 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -457 | 5 | 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 | |||||
44408275 | 75446 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -120 | 4 | 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 | 75446 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -120 | 4 | 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 | |||
44323034 | 208988 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -46 | 3 | 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 | 208988 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -46 | 3 | 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 | |||
44394735 | 123382 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -34 | 3 | 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 | 123382 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -34 | 3 | 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 | |||
168273822 | 190679 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -61 | 4 | 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 | 190679 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -61 | 4 | 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 | |||
46885481 | 7757 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -12 | 2 | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnc3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
CHEMBL1089104 | 7757 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -12 | 2 | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnc3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
CHEMBL415200 | 215639 | None | 0 | Rat | Functional | pEC50 | = | 6.2 | 6.2 | -77 | 5 | 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 | |||||
CHEMBL184644 | 211509 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -16 | 3 | 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 | |||||
44394736 | 123383 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -25 | 3 | 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 | 123383 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -25 | 3 | 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 | |||
11846844 | 140166 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 3 | 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 | 140166 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 3 | 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 | |||
44441642 | 154494 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -77 | 3 | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL398816 | 154494 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -77 | 3 | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
137640703 | 157189 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -1202 | 4 | 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 | 157189 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -1202 | 4 | 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 | |||
CHEMBL264190 | 213067 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 7 | 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 | |||||
CHEMBL264190 | 213067 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 7 | 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.2c01794 | |||||
CHEMBL406842 | 215084 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -66 | 5 | 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 | |||||
CHEMBL5077095 | 216967 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -57 | 4 | 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 | |||||
172456996 | 196308 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | 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)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c01587 | |||
CHEMBL5421108 | 196308 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 3 | ChEMBL | 964 | 12 | 12 | 12 | -0.1 | 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)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c01587 | |||
1334 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
10146211 | 64350 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2511 | 3 | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | |||
CHEMBL181162 | 64350 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -2511 | 3 | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | |||
122184577 | 122495 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -7 | 4 | 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 | 122495 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -7 | 4 | 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 | |||
46885480 | 7756 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 3 | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
CHEMBL1089103 | 7756 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 3 | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | |||
44322812 | 112445 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | 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 | 112445 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | 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 | |||
CHEMBL5075506 | 216867 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -512 | 4 | 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 | |||||
137647009 | 157946 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 2 | ChEMBL | 1122 | 22 | 14 | 16 | -1.6 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4083755 | 157946 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -30 | 2 | ChEMBL | 1122 | 22 | 14 | 16 | -1.6 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
145964837 | 164442 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 4 | 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 | 164442 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 4 | 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 | |||
137646617 | 157636 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -5 | 4 | 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 | 157636 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -5 | 4 | 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 | |||
46885524 | 7806 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -354 | 3 | 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 | 7806 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -354 | 3 | 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 | 7806 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -354 | 3 | 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 | |||
CHEMBL406891 | 215086 | None | 0 | Rat | Functional | pEC50 | = | 7.1 | 7.1 | -34 | 5 | 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 | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL3600922 | 214285 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 4 | 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 | |||||
44394730 | 132555 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -53 | 3 | 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 | 132555 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -53 | 3 | 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 | |||
137647538 | 158054 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -1445 | 4 | 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 | 158054 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -1445 | 4 | 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 | |||
145975465 | 164044 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 4 | 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 | 164044 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 4 | 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 | |||
145964017 | 164136 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 4 | 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 | 164136 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 4 | 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 | |||
46919520 | 15144 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -549 | 6 | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
CHEMBL1209788 | 15144 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -549 | 6 | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
162643435 | 181773 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4776340 | 181773 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162643435 | 181773 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4776340 | 181773 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 4 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
122184912 | 122624 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -3 | 4 | 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 | 122624 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -3 | 4 | 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 | |||
49862377 | 15047 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -13 | 4 | 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 | 15047 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -13 | 4 | 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 | |||
CHEMBL3600921 | 214284 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -1 | 4 | 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 | |||||
137648144 | 157850 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -38 | 2 | ChEMBL | 1127 | 22 | 14 | 17 | -1.5 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
CHEMBL4082585 | 157850 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -38 | 2 | ChEMBL | 1127 | 22 | 14 | 17 | -1.5 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | |||
11845438 | 137710 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -8 | 3 | 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 | 137710 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -8 | 3 | 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 | |||
44394627 | 124148 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -7 | 3 | 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 | 124148 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -7 | 3 | 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 | |||
44416135 | 80215 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -38 | 3 | 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 | 80215 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -38 | 3 | 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 | |||
25133208 | 172097 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -8 | 3 | 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 | 172097 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -8 | 3 | 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 | |||
44441646 | 154177 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -10 | 3 | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL398487 | 154177 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -10 | 3 | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | |||
CHEMBL88185 | 218386 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -38 | 3 | 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 | |||||
25133207 | 173046 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -18 | 3 | 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 | 173046 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -18 | 3 | 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 | |||
44413930 | 138735 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 3 | 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 | 138735 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 3 | 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 | |||
44394787 | 166083 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 3 | 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 | 166083 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 3 | 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 | 211439 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -10 | 3 | 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 | |||||
44394585 | 66787 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -63 | 3 | 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 | 66787 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -63 | 3 | 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 | |||
137636677 | 156191 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -295 | 4 | 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 | 156191 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -295 | 4 | 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 | |||
11845813 | 139891 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 3 | 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 | 139891 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 3 | 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 | |||
CHEMBL410217 | 215268 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -38 | 3 | 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 | |||||
44408252 | 140756 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -77 | 4 | 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 | 140756 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -77 | 4 | 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 | |||
49862378 | 15048 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -83 | 4 | 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 | 15048 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -83 | 4 | 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 | |||
44394584 | 96623 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 3 | 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 | 96623 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 3 | 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 | |||
44323029 | 209639 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -1 | 3 | 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 | 209639 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -1 | 3 | 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 | |||
168285801 | 191590 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 1 | 4 | 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 | 191590 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 1 | 4 | 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 | |||
CHEMBL3600841 | 214278 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 1 | 4 | 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 | |||||
49862375 | 15045 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -16 | 4 | 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 | 15045 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -16 | 4 | 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 | |||
163196518 | 192238 | None | 3 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -52 | 4 | 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 | 192238 | None | 3 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -52 | 4 | 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 | |||
172461542 | 196823 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -331 | 3 | ChEMBL | 961 | 12 | 14 | 11 | -0.7 | C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[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.2c01587 | |||
CHEMBL5432868 | 196823 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -331 | 3 | ChEMBL | 961 | 12 | 14 | 11 | -0.7 | C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[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.2c01587 | |||
CHEMBL187125 | 211514 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -30 | 3 | 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 | |||||
44448631 | 95123 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -416 | 4 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL255286 | 95123 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -416 | 4 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL359765 | 214267 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 1 | 3 | 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 | |||||
44322987 | 96785 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -20 | 3 | 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 | 96785 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -20 | 3 | 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 | |||
24774356 | 94878 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 8 | 2 | ChEMBL | 861 | 9 | 10 | 8 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
CHEMBL253574 | 94878 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 8 | 2 | ChEMBL | 861 | 9 | 10 | 8 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
CHEMBL5091245 | 217790 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -26 | 4 | 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 | |||||
CHEMBL414778 | 215616 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -154 | 4 | 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 | |||||
44394586 | 126847 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -13 | 3 | 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 | 126847 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -13 | 3 | 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 | |||
44448629 | 167561 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -346 | 4 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL429854 | 167561 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -346 | 4 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL2112008 | 211685 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 1 | 3 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
44323033 | 107208 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -14 | 3 | 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 | 107208 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -14 | 3 | 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 | |||
25132867 | 172601 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -38 | 3 | 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 | 172601 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -38 | 3 | 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 | |||
44408276 | 75534 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -134 | 4 | 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 | 75534 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -134 | 4 | 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 | |||
6918813 | 131439 | None | 2 | Human | Functional | pEC50 | = | 6 | 6.0 | -144 | 4 | 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 | 131439 | None | 2 | Human | Functional | pEC50 | = | 6 | 6.0 | -144 | 4 | 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 | |||
44394692 | 66235 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -33 | 3 | 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 | 66235 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | -33 | 3 | 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 | |||
11753695 | 8395 | None | 6 | Rat | Functional | pEC50 | = | 6 | 6.0 | -501 | 7 | 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 | 8395 | None | 6 | Rat | Functional | pEC50 | = | 6 | 6.0 | -501 | 7 | 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 | |||
CHEMBL2370968 | 212430 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -63 | 4 | 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 | 212430 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -63 | 4 | 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 | |||||
CHEMBL2370964 | 212426 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -47 | 4 | 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 | 212426 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -47 | 4 | 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 | |||||
162673640 | 183088 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -20 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | |||
CHEMBL4793346 | 183088 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -20 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | |||
162673640 | 183088 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -20 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | |||
CHEMBL4793346 | 183088 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | -20 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | |||
162677173 | 183634 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 1088 | 18 | 14 | 11 | 0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4799891 | 183634 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 1088 | 18 | 14 | 11 | 0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162677173 | 183634 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 1088 | 18 | 14 | 11 | 0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4799891 | 183634 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 1088 | 18 | 14 | 11 | 0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162664942 | 182299 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 2 | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | |||
CHEMBL4782808 | 182299 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 2 | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | |||
162644475 | 181911 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4778074 | 181911 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162644475 | 181911 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4778074 | 181911 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
101043845 | 190501 | None | 1 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -4 | 2 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.1c01295 | |||
CHEMBL5177536 | 190501 | None | 1 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -4 | 2 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.1c01295 | |||
101043845 | 190501 | None | 1 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -4 | 2 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.1c01295 | |||
CHEMBL5177536 | 190501 | None | 1 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -4 | 2 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.1c01295 | |||
162668987 | 182696 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 182696 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162668987 | 182696 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 182696 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162674869 | 183420 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | |||
CHEMBL4797266 | 183420 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | |||
162674869 | 183420 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | |||
CHEMBL4797266 | 183420 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -2 | 2 | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | |||
162665567 | 182455 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784635 | 182455 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162665567 | 182455 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784635 | 182455 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672763 | 183230 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 183230 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162672763 | 183230 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 183230 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -6 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162667953 | 182643 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -2 | 2 | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787322 | 182643 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -2 | 2 | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162667953 | 182643 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -2 | 2 | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787322 | 182643 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -2 | 2 | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162675203 | 183367 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10 | 2 | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4796506 | 183367 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10 | 2 | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162675203 | 183367 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10 | 2 | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4796506 | 183367 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10 | 2 | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
10855168 | 182012 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1050 | 15 | 13 | 11 | -0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4779301 | 182012 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1050 | 15 | 13 | 11 | -0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
10855168 | 182012 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1050 | 15 | 13 | 11 | -0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4779301 | 182012 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1050 | 15 | 13 | 11 | -0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162673931 | 183164 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 183164 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162673931 | 183164 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 183164 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -2 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
101176453 | 183068 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -660 | 3 | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4792986 | 183068 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -660 | 3 | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
101176453 | 183068 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -660 | 3 | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4792986 | 183068 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -660 | 3 | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01620 | |||
162643518 | 181817 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -102 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
CHEMBL4776915 | 181817 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -102 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
162643518 | 181817 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -102 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
CHEMBL4776915 | 181817 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -102 | 2 | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
162675582 | 183566 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -5 | 2 | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | |||
CHEMBL4799036 | 183566 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -5 | 2 | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | |||
162675582 | 183566 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -5 | 2 | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | |||
CHEMBL4799036 | 183566 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -5 | 2 | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | |||
162672837 | 183127 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -17 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 183127 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -17 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
162672837 | 183127 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -17 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 183127 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -17 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
162676295 | 183559 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 183559 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
162677133 | 183663 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 183663 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
162677133 | 183663 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 183663 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
162676295 | 183559 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 183559 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
162643092 | 181830 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 181830 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162643092 | 181830 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 181830 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162673650 | 183159 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 183159 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
162673650 | 183159 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 183159 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -2 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
1325 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
1325 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 3600 | None | 12 | Human | Functional | pIC50 | = | 7.1 | 7.1 | -125 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
162664942 | 182299 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | |||
CHEMBL4782808 | 182299 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | |||
CHEMBL253364 | 212968 | None | 0 | Human | Functional | pKd | = | 10.6 | 10.6 | - | 0 | ChEMBL | None | None | None | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||||
44445083 | 154394 | None | 0 | Human | Functional | pKd | = | 9.8 | 9.8 | 2 | 3 | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398665 | 154394 | None | 0 | Human | Functional | pKd | = | 9.8 | 9.8 | 2 | 3 | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
122184576 | 122494 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | 1 | 4 | 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 | 122494 | None | 0 | Human | Functional | pKd | = | 9.1 | 9.1 | 1 | 4 | 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 | |||
CHEMBL2096742 | 211665 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | -3 | 6 | 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/jm070461w | |||||
122184635 | 122500 | None | 0 | Human | Functional | pKd | = | 8 | 8.0 | -2 | 4 | 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 | 122500 | None | 0 | Human | Functional | pKd | = | 8 | 8.0 | -2 | 4 | 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 | |||
122184633 | 122498 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | -1 | 4 | 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 | 122498 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | -1 | 4 | 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 | |||
CHEMBL413573 | 215535 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | 1 | 4 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
44445085 | 97127 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | 1 | 4 | 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 | 97127 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | 1 | 4 | 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 | |||
CHEMBL266417 | 213142 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | -83 | 6 | 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 | |||||
CHEMBL428801 | 215933 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | -26 | 5 | 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 | |||||
CHEMBL3600912 | 214281 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | -2 | 4 | 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 | |||||
10408 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | 720 | None | 23 | Human | Functional | pEC50 | = | 8.1 | 8.1 | -5 | 4 | 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 | |||||
6546 | 3075 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | Guide to Pharmacology | None | None | None | None | 17482720 | |||||
1334 | 1501 | None | 4 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 4 | Guide to Pharmacology | None | None | None | None | 11150170 | |||||
16133814 | 1501 | None | 4 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 4 | Guide to Pharmacology | None | None | None | None | 11150170 | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 4 | Guide to Pharmacology | None | None | None | None | 11150170 | |||||
1341 | 3076 | None | 0 | Human | Functional | pIC50 | = | 9.7 | 9.7 | -6 | 3 | Guide to Pharmacology | None | None | None | None | 12431055 | |||||
1335 | 315 | None | 0 | Human | Functional | pIC50 | None | 7.7 | 7.7 | -39 | 3 | Guide to Pharmacology | None | None | None | None | 9819197 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
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Sel. page | Common name |
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p-value (-log) |
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Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
1971 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2404 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543.0 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL445 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00540 | 2866 | None | 32 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
216416 | 111644 | None | 40 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL328190 | 111644 | None | 40 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
71496458 | 115628 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL3353410 | 115628 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
135409453 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
226 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL76370 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
214 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2740 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566.0 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
66064 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL422 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00831 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2435 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
60149 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
98 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL12713 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
DB06144 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
25181577 | 78248 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105695 | 78248 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
176 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2157 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2157.0 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2566 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL633 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01118 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2351 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1008 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1257078 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
1046 | 205109 | None | 68 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL614 | 205109 | None | 68 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
156419 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
156419.0 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3308 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
647 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201284 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB01012 | 938 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
4212 | 201135 | None | 57 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1417019 | 201135 | None | 57 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL58 | 201135 | None | 57 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
41684 | 31229 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1401 | 31229 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
154257 | 178724 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL46740 | 178724 | None | 43 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
104850 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4150 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
743 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL111 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB06155 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
24826799 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1171837 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
2162 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1491 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
3926 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL92870 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
42890 | 9427 | None | 34 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1117 | 9427 | None | 34 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
11980903 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
22526 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5281035 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201303 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5440 | 28732 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5440.0 | 28732 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1378 | 28732 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB00372 | 28732 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
2194 | 63103 | None | 64 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL178862 | 63103 | None | 64 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
5328940 | 100270 | None | 65 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL288441 | 100270 | None | 65 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
1212 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
204 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3372 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3372.0 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL726 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00623 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3380 | 22798 | None | 15 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 313 | 2 | 0 | 4 | 2.5 | CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL13280 | 22798 | None | 15 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 313 | 2 | 0 | 4 | 2.5 | CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 | 10.1038/s41467-023-40064-9 | |||
1427 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
357 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
3696 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL11 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00458 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4011 | 82440 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL21731 | 82440 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | |||
2726 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2726.0 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
621 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
83 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL71 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB00477 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2519 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
2519.0 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
407 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
463 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
CHEMBL113 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
DB00201 | 779 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 12 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
11626560 | 203394 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL601719 | 203394 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
11976 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
667467 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
667467.0 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL908 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
DB01239 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
1056 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
2405 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
77999 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL121 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
DB00412 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
2200 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
2200.0 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1256819 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1305 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
DB08799 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
25382 | 9159 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL110094 | 9159 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
51755 | 57422 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1651990 | 57422 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
4236 | 28104 | None | 33 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1373 | 28104 | None | 33 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
202 | 1508 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 33 | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60835 | 1508 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 33 | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
972 | 1508 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 33 | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1175 | 1508 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 33 | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00476 | 1508 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 33 | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
180 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
124087 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
124087.0 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
7157 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
814 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1172 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00967 | 1389 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
3676 | 207728 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL79 | 207728 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | |||
216239 | 23803 | None | 71 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200485 | 23803 | None | 71 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1336 | 23803 | None | 71 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
2247 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
26987 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
26987.0 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
6063 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
671 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1626 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
DB00283 | 949 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL4743867 | 216518 | None | 10 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
3149 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1187011 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
1353 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559.0 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
86 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL54 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
DB00502 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
4150 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5288 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019.0 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL190461 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
DB09061 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5284550 | 41735 | None | 12 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 9 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
5284550.0 | 41735 | None | 12 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 9 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL108947 | 41735 | None | 12 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 9 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1492500 | 41735 | None | 12 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 9 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB09167 | 41735 | None | 12 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 9 | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
10184665 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
10184665.0 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
4799 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
7353 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1198857 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
DB09082 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
123631 | 209859 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL939 | 209859 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5282175 | 14437 | None | 23 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200661 | 14437 | None | 23 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
11511120 | 78425 | None | 58 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2110732 | 78425 | None | 58 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
3191 | 102913 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
3191.0 | 102913 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL305660 | 102913 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
DB11742 | 102913 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
25077405 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
25077405.0 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
3902 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
49800011 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
49800011.0 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
CHEMBL1201309 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
DB00666 | 2715 | None | 0 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
2398 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2801 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2801.0 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
701 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL415 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB01242 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
10184653 | 11001 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1173655 | 11001 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
2585 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
2585.0 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
522 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
551 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL723 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
DB01136 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
30323 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1563 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL178 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
6436173 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1617 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
2713 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5353524 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5360566 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
88536661 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
9552079 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1330113 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL790 | 207729 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
72093 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1433361 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103773 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
2018 | 3007 | None | 26 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
9941444 | 3007 | None | 26 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
CHEMBL3349607 | 3007 | None | 26 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
DB06663 | 3007 | None | 26 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 4 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
2600 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
2608 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
5405 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL17157 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
DB00342 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
1209 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
203 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3386 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL41 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00472 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
1222 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3396 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3396.0 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
85 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL46516 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB04842 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
5329102 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL535 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
68617 | 207985 | None | 33 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1709 | 207985 | None | 33 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL809 | 207985 | None | 33 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
1016 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2561 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2733526 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5384 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL83 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00675 | 3747 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4746 | 207349 | None | 24 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1334033 | 207349 | None | 24 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL75880 | 207349 | None | 24 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
118422671 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
1887 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
189562 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
189562.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
71301 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
71301.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
7246 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
9844194 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
9844194.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL2365658 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL3526436 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL434394 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
DB04861 | 2757 | None | 41 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
16362 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
16362.0 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2172 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
90 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1423 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01100 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
100 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2637 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
5452 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL479 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
DB00679 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2274 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
4917 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
4917.0 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
7279 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL728 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00433 | 3173 | None | 38 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
1155 | 1629 | None | 38 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
3343 | 1629 | None | 38 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
557 | 1629 | None | 38 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL32800 | 1629 | None | 38 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB01288 | 1629 | None | 38 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
1324 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16154396 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16197727 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
44285019 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
57514683 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
91898441 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
DB04931 | 302 | None | 19 | Human | Binding | pEC50 | = | 9.9 | 9.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
1323 | 2688 | None | 38 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
92432 | 2688 | None | 38 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pEC50 | = | 9.6 | 9.6 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16132144 | 211738 | None | 29 | Human | Binding | pEC50 | = | 9.2 | 9.2 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pEC50 | = | 9.2 | 9.2 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pEC50 | = | 9.2 | 9.2 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pEC50 | = | 9.2 | 9.2 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | |||||
CHEMBL2370154 | 212260 | None | 0 | Human | Binding | pEC50 | = | 8.7 | 8.7 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | |||||
44323211 | 107074 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL315397 | 107074 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44323233 | 106772 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL314401 | 106772 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL188738 | 211518 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL190551 | 211525 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
11038873 | 171983 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | 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 | 171983 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
44323020 | 169099 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | 7 | 3 | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL439188 | 169099 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | 7 | 3 | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL188459 | 211516 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL372237 | 214632 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44269189 | 98391 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | 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 | 98391 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | 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 | |||
CHEMBL373344 | 214635 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
44269217 | 30268 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | 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 | 30268 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||
CHEMBL186970 | 211513 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL191120 | 211539 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL365262 | 214497 | None | 0 | Human | Binding | pEC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
44269214 | 98547 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | 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 | 98547 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||
CHEMBL365794 | 214501 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL370321 | 214627 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44323212 | 168822 | None | 0 | Human | Binding | pEC50 | = | 4.4 | 4.4 | 1 | 2 | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL436903 | 168822 | None | 0 | Human | Binding | pEC50 | = | 4.4 | 4.4 | 1 | 2 | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL190080 | 211521 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL190953 | 211536 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL2371829 | 212593 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL191063 | 211538 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL189991 | 211520 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL190732 | 211526 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
10260053 | 168306 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | 4 | 3 | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL433413 | 168306 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | 4 | 3 | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL365913 | 214503 | None | 0 | Human | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44323234 | 168159 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | 7 | 3 | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL432377 | 168159 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | 7 | 3 | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44322795 | 209384 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | -13 | 3 | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL91041 | 209384 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | -13 | 3 | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
11813437 | 98582 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | 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 | 98582 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | 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 | |||
44322869 | 106216 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | 6 | 3 | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL313690 | 106216 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | 6 | 3 | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
46877881 | 204275 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | -2 | 3 | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL606990 | 204275 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | -2 | 3 | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL190203 | 211523 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL1161322 | 210967 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -1 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||||
44366081 | 10264 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 2 | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL1161313 | 10264 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 2 | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL2096742 | 211665 | None | 0 | Human | Binding | pIC50 | = | 9.6 | 9.6 | -5 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL500743 | 216612 | None | 0 | Human | Binding | pIC50 | = | 9 | 9.0 | - | 0 | 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 | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
145972289 | 164615 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | 164615 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | |||
44418421 | 168696 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | 168696 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | |||
CHEMBL393075 | 214922 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.9 | 8.9 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL204310 | 211623 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | 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 | |||||
122184576 | 122494 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 1 | 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 | 122494 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 1 | 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 | |||
CHEMBL413573 | 215535 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | -1 | 2 | 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 | |||||
CHEMBL428801 | 215933 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -100 | 3 | 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 | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
133053557 | 163801 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | 163801 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | 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 | |||
118735101 | 118865 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | 118865 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | 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 | |||
CHEMBL410795 | 215302 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
118735103 | 118867 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | 118867 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | |||
44315095 | 103188 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | 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 | 103188 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | 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 | |||
CHEMBL410217 | 215268 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | |||||
44448629 | 167561 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL429854 | 167561 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
122184635 | 122500 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | 1 | 4 | 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 | 122500 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | 1 | 4 | 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 | |||
145977650 | 163929 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | 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 | 163929 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | 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 | |||
44445083 | 154394 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398665 | 154394 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
145948876 | 167581 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL4299441 | 167581 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL1161316 | 210963 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | -63 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
6918813 | 131439 | None | 2 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 131439 | None | 2 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | |||
24774602 | 169034 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 169034 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | |||
44445085 | 97127 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | -2 | 2 | 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 | 97127 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | -2 | 2 | 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 | |||
CHEMBL425591 | 215799 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
10304547 | 168355 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | 168355 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | |||
CHEMBL382369 | 214765 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
44448479 | 155461 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL403420 | 155461 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
176 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157.0 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | None | 47 | Human | Binding | pIC50 | = | 4.9 | 4.9 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL373344 | 214635 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL188459 | 211516 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL190203 | 211523 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
122184909 | 122620 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | 122620 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | |||
CHEMBL203760 | 211620 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0510326 | |||||
122184638 | 122503 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 122503 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | |||
71449047 | 78511 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2111807 | 78511 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
10188529 | 126849 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL365401 | 126849 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL3350396 | 213938 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | |||||
145964837 | 164442 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | 164442 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | 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 | |||
CHEMBL263822 | 213049 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | 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 | |||||
CHEMBL383250 | 214772 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL2371962 | 212618 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | 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 | |||||
122184634 | 122499 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 122499 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | |||
44448660 | 95026 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL254589 | 95026 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
44449216 | 95324 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 559 | 6 | 1 | 3 | 6.4 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL256286 | 95324 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 559 | 6 | 1 | 3 | 6.4 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL3600912 | 214281 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 1 | 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 | |||||
44366171 | 121358 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
CHEMBL358015 | 121358 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
127053936 | 152329 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 152329 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
2247 | 505 | None | 55 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | None | 55 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | None | 55 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | None | 55 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL186970 | 211513 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
145973975 | 164752 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 164752 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | |||
6918813 | 131439 | None | 2 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 131439 | None | 2 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
71456245 | 79007 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 79007 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
171378343 | 196422 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 697 | 15 | 10 | 7 | -0.2 | 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]1Cc2c([nH]c3ccccc23)CNC1=O | 10.1021/acs.jmedchem.2c01794 | |||
CHEMBL5423711 | 196422 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 697 | 15 | 10 | 7 | -0.2 | 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]1Cc2c([nH]c3ccccc23)CNC1=O | 10.1021/acs.jmedchem.2c01794 | |||
122184911 | 122622 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 122622 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
122184575 | 122493 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | 122493 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | 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 | |||
10282847 | 123031 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | 123031 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | 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 | |||
5624 | 32701 | None | 12 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL1203324 | 32701 | None | 12 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL141343 | 32701 | None | 12 | Human | Binding | pIC50 | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
57854192 | 153138 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | 153138 | None | 0 | Human | Binding | pIC50 | = | 5.8 | 5.8 | - | 0 | 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 | |||
127053937 | 149141 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 149141 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | |||
4189 | 209380 | None | 58 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 209380 | None | 58 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 209380 | None | 58 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
1338 | 3807 | None | 36 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 4 | 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 | 3807 | None | 36 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 4 | 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 | 3807 | None | 36 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 4 | 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 | |||
16132144 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.7 | 7.7 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
16133793 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.7 | 7.7 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
44273719 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.7 | 7.7 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.7 | 7.7 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL3600840 | 214277 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | |||||
CHEMBL1161321 | 210966 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | -19 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
44577514 | 172558 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 172558 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | |||
CHEMBL2112008 | 211685 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL2221249 | 211902 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | 1 | 3 | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | |||||
1016 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3747 | None | 45 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL365913 | 214503 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL190427 | 211524 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL190551 | 211525 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.7 | 8.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL503229 | 216651 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | |||||
172445559 | 195459 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 981 | 17 | 15 | 11 | -0.5 | CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[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/acs.jmedchem.2c01794 | |||
CHEMBL5404193 | 195459 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 981 | 17 | 15 | 11 | -0.5 | CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[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/acs.jmedchem.2c01794 | |||
CHEMBL443071 | 216381 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | |||||
145967155 | 164338 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | 164338 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | |||
CHEMBL502300 | 216640 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | 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 | |||||
CHEMBL2096742 | 211665 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | -5 | 2 | 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 | |||||
CHEMBL501592 | 216629 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | |||||
CHEMBL3752534 | 214676 | None | 1 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | |||||
CHEMBL1161320 | 210965 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | 12 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL1161323 | 210968 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | -5 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
122184637 | 122502 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | 122502 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | |||
CHEMBL204263 | 211622 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | |||||
CHEMBL524861 | 218113 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | 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 | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
145975465 | 164044 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 164044 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | |||
122184910 | 122621 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | 122621 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | |||
24774521 | 154347 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398635 | 154347 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL3600832 | 214273 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | 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 | |||||
71456219 | 78778 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2112603 | 78778 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44396986 | 67453 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL188966 | 67453 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
44408287 | 75412 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 75412 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | |||
15953838 | 67291 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
CHEMBL188146 | 67291 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
CHEMBL539306 | 67291 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
168282779 | 191280 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 191280 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | |||
CHEMBL3600920 | 214283 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | |||||
145988152 | 167140 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | 167140 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | 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 | |||
127053935 | 144273 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | 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 | 144273 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | |||
CHEMBL217305 | 211832 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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]2CCCN2C1=O | 10.1016/s0960-894x(03)00412-8 | |||||
122184499 | 122459 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 122459 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||
24774438 | 94908 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 94908 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||
9808801 | 60829 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 60829 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||
44408286 | 140755 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 140755 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||
6918813 | 131439 | None | 2 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | 131439 | None | 2 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | |||
168273822 | 190679 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 190679 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||
122184578 | 122496 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 122496 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||
CHEMBL217584 | 211836 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | 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 | |||||
2726 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
2726.0 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 919 | None | 48 | Human | Binding | pIC50 | = | 4.6 | 4.6 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
168285801 | 191590 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 191590 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||
44347840 | 162018 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -17 | 3 | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
91932630 | 162018 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -17 | 3 | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL415333 | 162018 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | -17 | 3 | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL2096759 | 211667 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||||
CHEMBL2115441 | 211727 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||||
CHEMBL380638 | 214731 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
145976444 | 164058 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | 164058 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||
CHEMBL3600834 | 214275 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | 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 | |||||
CHEMBL2371966 | 212622 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||||
CHEMBL203602 | 211619 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||||
CHEMBL381739 | 214752 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
6918707 | 104247 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | 104247 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | 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 | |||
44431512 | 146012 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 146012 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||
CHEMBL2372588 | 212731 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | -316 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | |||||
44348144 | 157914 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL408336 | 157914 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44349173 | 117054 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | 117054 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | 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 | |||
44448631 | 95123 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL255286 | 95123 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
44448590 | 95652 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL257759 | 95652 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL2371712 | 212568 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | 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 | |||||
44347838 | 96696 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL263585 | 96696 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL3600835 | 214276 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | 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 | |||||
CHEMBL2096742 | 211665 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -5 | 2 | 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/jm070461w | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL266417 | 213142 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | -8 | 3 | 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 | |||||
CHEMBL3600736 | 214272 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | |||||
1324 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16154396 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16197727 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
44285019 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
57514683 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
91898441 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
DB04931 | 302 | None | 19 | Human | Binding | pIC50 | = | 8.4 | 8.4 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
145964017 | 164136 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 164136 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | |||
16132144 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
16132144 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
16133793 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
44273719 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
CHEMBL214332 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.5 | 7.5 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
CHEMBL408509 | 215180 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
168295644 | 192421 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 192421 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | |||
44348183 | 97218 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL268094 | 97218 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44408173 | 75427 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 75427 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | |||
CHEMBL188738 | 211518 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
6918849 | 123030 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 123030 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||
163196518 | 192238 | None | 3 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 192238 | None | 3 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||
24774519 | 94907 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 94907 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||
CHEMBL2310901 | 211957 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||||
54587278 | 60838 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | 60838 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | 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 | |||
CHEMBL3601426 | 214286 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | |||||
6918276 | 15618 | None | 4 | Human | Binding | pIC50 | = | 5.5 | 5.5 | -309 | 8 | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
CHEMBL1221512 | 15618 | None | 4 | Human | Binding | pIC50 | = | 5.5 | 5.5 | -309 | 8 | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
44418430 | 83287 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | 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 | 83287 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
10077258 | 15037 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 15037 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||
3198 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.4 | 4.4 | -75 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.4 | 4.4 | -75 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.4 | 4.4 | -75 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL3600842 | 214279 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||||
24857886 | 155338 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL402769 | 155338 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
24858629 | 197925 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL552520 | 197925 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
44408155 | 140640 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 140640 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||
44445082 | 154391 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398664 | 154391 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
54586246 | 60837 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 60837 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||
CHEMBL2371967 | 212623 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||||
CHEMBL190732 | 211526 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL2371835 | 212596 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL365794 | 214501 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
145973779 | 164827 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | 164827 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | 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 | |||
44577510 | 188843 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | -199 | 3 | 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 | 188843 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | -199 | 3 | 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 | |||
1334 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.4 | 7.4 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.4 | 7.4 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.4 | 7.4 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL1775066 | 211340 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||||
44408388 | 140410 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 140410 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||
44277696 | 101259 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 101259 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 101259 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | 101259 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||
CHEMBL1161318 | 210964 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | -79 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
44397220 | 167400 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL429387 | 167400 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL3600841 | 214278 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||||
15953833 | 79005 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 79005 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||
16725559 | 95042 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL254757 | 95042 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
44431513 | 145897 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | 145897 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | |||
44348200 | 160290 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL410949 | 160290 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL3348530 | 213861 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | |||||
CHEMBL2371965 | 212621 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | 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 | |||||
CHEMBL439691 | 216309 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | 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 | |||||
168296790 | 192455 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | 192455 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | 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 | |||
168273291 | 190641 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 190641 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||
145987870 | 167330 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 167330 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | |||
44408190 | 96976 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 96976 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||
CHEMBL3600833 | 214274 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
49862378 | 15048 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 15048 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | |||
71459938 | 79012 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 79012 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | |||
44397455 | 123910 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 123910 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | |||
CHEMBL417853 | 215698 | None | 0 | Human | Binding | pIC50 | = | 4.3 | 4.3 | - | 0 | 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 | |||||
46919520 | 15144 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
CHEMBL1209788 | 15144 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
44408276 | 75534 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 75534 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||
49862425 | 15066 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 15066 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | |||
44418431 | 136643 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 136643 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL413439 | 215530 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | |||||
145966716 | 164400 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | 164400 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | 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 | |||
44431511 | 88100 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL234629 | 88100 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL263948 | 213058 | None | 1 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.3 | 7.3 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.3 | 7.3 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.3 | 7.3 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | 211738 | None | 29 | Human | Binding | pIC50 | = | 7.3 | 7.3 | -30 | 4 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=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 | |||||
CHEMBL1775062 | 211339 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||||
118735100 | 118864 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | 118864 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | 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 | |||
CHEMBL191120 | 211539 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL191063 | 211538 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL370321 | 214627 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL3600921 | 214284 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | |||||
44408252 | 140756 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | 140756 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||
CHEMBL3600913 | 214282 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | 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 | |||||
145971389 | 164728 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | 164728 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | 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 | |||
CHEMBL446185 | 216405 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
71449048 | 78512 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2111808 | 78512 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
145966490 | 164457 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 164457 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||
145948912 | 167583 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 167583 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||
122184914 | 122625 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 1 | 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 | 122625 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 1 | 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 | |||
145966364 | 164215 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 164215 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||
CHEMBL3754655 | 214683 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||||
CHEMBL414778 | 215616 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | |||||
CHEMBL438920 | 216270 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | |||||
CHEMBL204864 | 211625 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | 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 | |||||
16157270 | 215013 | None | 15 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL405282 | 215013 | None | 15 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL2372589 | 212732 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | 15 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
16157270 | 215013 | None | 15 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL405282 | 215013 | None | 15 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL427205 | 215813 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
122184912 | 122624 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 122624 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | |||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
44577520 | 188932 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 188932 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||
CHEMBL411359 | 215339 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||||
44396987 | 67214 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL187774 | 67214 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
71452720 | 79002 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL2113031 | 79002 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
71456220 | 78779 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2112604 | 78779 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL264190 | 213067 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 1 | 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 | |||||
CHEMBL264190 | 213067 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 1 | 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.2c01794 | |||||
44408253 | 140431 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 140431 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||
CHEMBL2371963 | 212619 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||||
CHEMBL190080 | 211521 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
168295131 | 192351 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 192351 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||
CHEMBL3600843 | 214280 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||||
52918026 | 60828 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 60828 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||
10257242 | 15036 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | 15036 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | 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 | |||
CHEMBL3601431 | 214287 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||||
44408189 | 168982 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | 168982 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | 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 | |||
168278924 | 191175 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | 191175 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | 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 | |||
1334 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.2 | 7.2 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.2 | 7.2 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.2 | 7.2 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1334 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.1 | 7.1 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16133814 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.1 | 7.1 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL437050 | 1501 | None | 4 | Human | Binding | pIC50 | = | 7.1 | 7.1 | 1 | 3 | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
145976863 | 163853 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 163853 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | |||
168274393 | 190214 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 190214 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | |||
54584302 | 60832 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 60832 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
54584301 | 60830 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 60830 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
44408154 | 141449 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 141449 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
1338 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pIC50 | = | 6.1 | 6.1 | -75 | 4 | 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 | |||
49862375 | 15045 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 15045 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
CHEMBL190953 | 211536 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL275999 | 213285 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL372237 | 214632 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
122184577 | 122495 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 122495 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
122184636 | 122501 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | 122501 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | 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 | |||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.1 | 8.1 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL3349030 | 213864 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL409144 | 215207 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
10210964 | 67264 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 67264 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | |||
44445084 | 160833 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL411391 | 160833 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
44408275 | 75446 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 75446 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
CHEMBL375947 | 214692 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||||
49862377 | 15047 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 15047 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
11753695 | 8395 | None | 6 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | 8395 | None | 6 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | 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 | |||
122184633 | 122498 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | 122498 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 1 | 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 | |||
1323 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.0 | 8.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
92432 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.0 | 8.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pIC50 | = | 8.0 | 8.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
145990599 | 166951 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | 166951 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | 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 | |||
44397410 | 124426 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL363740 | 124426 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
1337 | 3424 | None | 5 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
6918851 | 3424 | None | 5 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL364346 | 3424 | None | 5 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
10304776 | 79010 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | 79010 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | 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 | |||
10483153 | 60831 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | 60831 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | 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 | |||
CHEMBL3600922 | 214285 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | |||||
CHEMBL389674 | 214893 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | 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 | |||||
44366081 | 10264 | None | 0 | Human | Binding | pKd | = | 9.4 | 9.4 | -2 | 2 | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL1161313 | 10264 | None | 0 | Human | Binding | pKd | = | 9.4 | 9.4 | -2 | 2 | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL2372589 | 212732 | None | 0 | Human | Binding | pKd | = | 9.2 | 9.2 | 15 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL1161322 | 210967 | None | 0 | Human | Binding | pKd | = | 9 | 9.0 | -1 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL2096742 | 211665 | None | 0 | Human | Binding | pKd | = | 8.7 | 8.7 | -5 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL1161320 | 210965 | None | 0 | Human | Binding | pKd | = | 7.6 | 7.6 | 12 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL1161318 | 210964 | None | 0 | Human | Binding | pKd | = | 6.5 | 6.5 | -79 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL1161321 | 210966 | None | 0 | Human | Binding | pKd | = | 6.4 | 6.4 | -19 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL440801 | 216330 | None | 0 | Human | Binding | pKd | = | 8.3 | 8.3 | -25 | 2 | 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 | |||||
CHEMBL2096742 | 211665 | None | 0 | Human | Binding | pKd | = | 8.3 | 8.3 | -5 | 2 | 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 | |||||
CHEMBL1161323 | 210968 | None | 0 | Human | Binding | pKd | = | 8.2 | 8.2 | -5 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
CHEMBL1161316 | 210963 | None | 0 | Human | Binding | pKd | = | 6.2 | 6.2 | -63 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL2372588 | 212731 | None | 0 | Human | Binding | pKd | = | 6.1 | 6.1 | -316 | 2 | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | |||||
162643092 | 181830 | None | 0 | Human | Binding | pKi | = | 10.7 | 10.7 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 181830 | None | 0 | Human | Binding | pKi | = | 10.7 | 10.7 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162643092 | 181830 | None | 0 | Human | Binding | pKi | = | 10.7 | 10.7 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 181830 | None | 0 | Human | Binding | pKi | = | 10.7 | 10.7 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162673650 | 183159 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 183159 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
162673650 | 183159 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 183159 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -1 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
162676295 | 183559 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 183559 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
162676295 | 183559 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 183559 | None | 0 | Human | Binding | pKi | = | 10.5 | 10.5 | -2 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL414718 | 215611 | None | 0 | Human | Binding | pKi | = | 10.0 | 10.0 | -1 | 4 | 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 | |||||
1325 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
1325 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 3600 | None | 12 | Human | Binding | pKi | = | 9.9 | 9.9 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
162673931 | 183164 | None | 0 | Human | Binding | pKi | = | 9.9 | 9.9 | -8 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 183164 | None | 0 | Human | Binding | pKi | = | 9.9 | 9.9 | -8 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162673931 | 183164 | None | 0 | Human | Binding | pKi | = | 9.9 | 9.9 | -8 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 183164 | None | 0 | Human | Binding | pKi | = | 9.9 | 9.9 | -8 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL2370968 | 212430 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
CHEMBL442504 | 216377 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | -3 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
CHEMBL415165 | 215636 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 5 | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
162668987 | 182696 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -15 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 182696 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -15 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162668987 | 182696 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -15 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 182696 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -15 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162672763 | 183230 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -13 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 183230 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -13 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162672763 | 183230 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -13 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 183230 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -13 | 2 | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162672255 | 182977 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -13 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 182977 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -13 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672255 | 182977 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -13 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 182977 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -13 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672837 | 183127 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -18 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 183127 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -18 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
162672837 | 183127 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -18 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 183127 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | -18 | 2 | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
168277761 | 190409 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 2 | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | |||
CHEMBL5175981 | 190409 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 1 | 2 | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | |||
1324 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16154396 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
44285019 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
57514683 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
91898441 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
DB04931 | 302 | None | 19 | Human | Binding | pKi | = | 9.2 | 9.2 | -2 | 4 | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
162677133 | 183663 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | -19 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 183663 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | -19 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
162677133 | 183663 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | -19 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 183663 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | -19 | 2 | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
1324 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16154396 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16197727 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16197727.0 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
44285019 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
57514683 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
91898441 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL441738 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
DB04931 | 302 | None | 19 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 4 | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL2370964 | 212426 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
1323 | 2688 | None | 38 | Human | Binding | pKi | = | 9.0 | 9.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
92432 | 2688 | None | 38 | Human | Binding | pKi | = | 9.0 | 9.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pKi | = | 9.0 | 9.0 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c01587 | |||||
CHEMBL385465 | 214811 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | -10 | 3 | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
44415913 | 79982 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | -2 | 3 | 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 | 79982 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | -2 | 3 | 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 | |||
44415914 | 139357 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | -1 | 3 | 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 | 139357 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | -1 | 3 | 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 | |||
44415919 | 141675 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | -2 | 3 | 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 | 141675 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | -2 | 3 | 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 | |||
CHEMBL2370154 | 212260 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | |||||
CHEMBL266879 | 213165 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | -6 | 4 | 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 | |||||
162665450 | 182402 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -10 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 182402 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -10 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162665450 | 182402 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -10 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 182402 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | -10 | 2 | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
168273645 | 190434 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -24 | 3 | 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 | 190434 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -24 | 3 | 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 | |||
16172929 | 215461 | None | 14 | Human | Binding | pKi | = | 8.0 | 8.0 | -12 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL412536 | 215461 | None | 14 | Human | Binding | pKi | = | 8.0 | 8.0 | -12 | 4 | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
168289404 | 191421 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -15 | 3 | 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 | 191421 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -15 | 3 | 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 | |||
CHEMBL5087814 | 217609 | None | 0 | Human | Binding | pKi | = | 7 | 7.0 | -26 | 3 | 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 | |||||
44400811 | 68663 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -416 | 2 | ChEMBL | 615 | 10 | 3 | 5 | 5.7 | CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL191857 | 68663 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -416 | 2 | ChEMBL | 615 | 10 | 3 | 5 | 5.7 | CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
9915636 | 66845 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -58 | 4 | 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 | 66845 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -58 | 4 | 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 | |||
44434860 | 90076 | None | 0 | Human | Binding | pKi | = | 5 | 5.0 | -3 | 4 | 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 | 90076 | None | 0 | Human | Binding | pKi | = | 5 | 5.0 | -3 | 4 | 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 | |||
CHEMBL5094168 | 217969 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -707 | 3 | 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 | |||||
CHEMBL5090946 | 217775 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -75 | 3 | 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 | |||||
44401341 | 135748 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -3 | 2 | ChEMBL | 630 | 13 | 5 | 4 | 4.5 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL372965 | 135748 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -3 | 2 | ChEMBL | 630 | 13 | 5 | 4 | 4.5 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
176 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157.0 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | None | 47 | Human | Binding | pKi | = | 5.0 | 5.0 | -6 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
59149264 | 76830 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -85 | 4 | 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 | 76830 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -85 | 4 | 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 | 76830 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -85 | 4 | 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 | 76830 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -85 | 4 | 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 | |||
168277916 | 190786 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -17 | 3 | 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 | 190786 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -17 | 3 | 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 | |||
168272660 | 190542 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -14 | 3 | 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 | 190542 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -14 | 3 | 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 | |||
44322869 | 106216 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | 6 | 3 | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL313690 | 106216 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | 6 | 3 | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44322895 | 163465 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -18 | 3 | 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 | 163465 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -18 | 3 | 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 | |||
168285313 | 191510 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -3 | 4 | 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 | 191510 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | -3 | 4 | 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 | |||
44433294 | 153132 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -575 | 3 | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL397580 | 153132 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -575 | 3 | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL2070254 | 211644 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -31 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
44397030 | 67390 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -131 | 4 | 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 | 67390 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -131 | 4 | 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 | |||
6918850 | 125489 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -316 | 4 | 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 | 125489 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -316 | 4 | 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 | |||
10270570 | 89067 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -2 | 4 | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236450 | 89067 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -2 | 4 | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44401592 | 125257 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -4 | 2 | ChEMBL | 607 | 13 | 6 | 4 | 3.2 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL364519 | 125257 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -4 | 2 | ChEMBL | 607 | 13 | 6 | 4 | 3.2 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
46905545 | 10302 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -2 | 2 | ChEMBL | 631 | 14 | 7 | 6 | 1.4 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]cn1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL1161792 | 10302 | None | 0 | Human | Binding | pKi | = | 5.0 | 5.0 | -2 | 2 | ChEMBL | 631 | 14 | 7 | 6 | 1.4 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]cn1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44415972 | 79914 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | 79914 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 3 | 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 | |||
CHEMBL5078687 | 217068 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -75 | 3 | 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 | |||||
11845450 | 138556 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -91 | 3 | 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 | 138556 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -91 | 3 | 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 | |||
51346770 | 58244 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -10 | 4 | 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 | 58244 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -10 | 4 | 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 | |||
44413876 | 79775 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 3 | 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 | 79775 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 3 | 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 | 79775 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 3 | 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 | 79775 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 3 | 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 | |||
CHEMBL2370967 | 212429 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -2 | 2 | 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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44323234 | 168159 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 7 | 3 | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL432377 | 168159 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 7 | 3 | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44347331 | 16334 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -181 | 3 | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
CHEMBL122773 | 16334 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -181 | 3 | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
16007264 | 79751 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL211564 | 79751 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
16007264 | 79751 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | |||
CHEMBL211564 | 79751 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -63 | 3 | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | |||
71452732 | 79065 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1 | 4 | 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 | 79065 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1 | 4 | 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 | |||
71461657 | 79070 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -4 | 4 | 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 | 79070 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -4 | 4 | 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 | |||
44435220 | 89286 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | 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 | 89286 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | 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 | |||
10293285 | 89646 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237528 | 89646 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
10137615 | 89770 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -4 | 4 | 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 | 89770 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -4 | 4 | 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 | |||
44434855 | 90064 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -10 | 4 | 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 | 90064 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -10 | 4 | 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 | |||
44434766 | 154804 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -10 | 4 | 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 | 154804 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -10 | 4 | 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 | |||
59149266 | 76954 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -707 | 4 | 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 | 76954 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -707 | 4 | 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 | 76954 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -707 | 4 | 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 | 76954 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -707 | 4 | 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 | |||
168296647 | 192584 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -190 | 3 | 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 | 192584 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -190 | 3 | 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 | |||
11845813 | 139891 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -4 | 3 | 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 | 139891 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -4 | 3 | 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 | |||
1338 | 3807 | None | 36 | Human | Binding | pKi | = | 6.9 | 6.9 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pKi | = | 6.9 | 6.9 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pKi | = | 6.9 | 6.9 | -75 | 4 | 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 | |||
44413829 | 78095 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -10 | 3 | 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 | 78095 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -10 | 3 | 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 | |||
25133556 | 188957 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -23 | 3 | 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 | 188957 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -23 | 3 | 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 | |||
44569175 | 188930 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -32 | 3 | 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 | 188930 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -32 | 3 | 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 | |||
168277543 | 190784 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -128 | 3 | 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 | 190784 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -128 | 3 | 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 | |||
59149255 | 76956 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -50 | 4 | 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 | 76956 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -50 | 4 | 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 | 76956 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -50 | 4 | 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 | 76956 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -50 | 4 | 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 | |||
11993702 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702.0 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
5416 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
9272 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL3301624 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
DB11700 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
11993702.0 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
5416 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
9272 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3301624 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
DB11700 | 3593 | None | 20 | Human | Binding | pKi | = | 7.9 | 7.9 | -3 | 5 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
168276507 | 190374 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -33 | 3 | 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 | 190374 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -33 | 3 | 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 | |||
44322896 | 168075 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL431801 | 168075 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
168293710 | 192275 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -56 | 3 | 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 | 192275 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -56 | 3 | 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 | |||
44322958 | 107068 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -3 | 3 | 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 | 107068 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -3 | 3 | 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 | |||
44432932 | 87788 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -38 | 4 | 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 | 87788 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -38 | 4 | 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 | |||
44400863 | 69186 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -288 | 3 | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL192464 | 69186 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -288 | 3 | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44456219 | 155528 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -275 | 4 | 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 | 155528 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -275 | 4 | 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 | |||
16046215 | 80120 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -51 | 4 | 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 | 80120 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -51 | 4 | 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 | 80120 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -51 | 4 | 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 | 80120 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -51 | 4 | 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 | |||
44434843 | 88734 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -3 | 4 | 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 | 88734 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -3 | 4 | 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 | |||
44434854 | 90063 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -8 | 4 | 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 | 90063 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -8 | 4 | 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 | |||
44434648 | 148247 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393558 | 148247 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
172441600 | 195257 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -288 | 3 | ChEMBL | 943 | 11 | 12 | 10 | -0.0 | C#Cc1ccc2c(c1)C(=O)N[C@H](C)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
CHEMBL5399539 | 195257 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -288 | 3 | ChEMBL | 943 | 11 | 12 | 10 | -0.0 | C#Cc1ccc2c(c1)C(=O)N[C@H](C)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(N)=O)CS2 | 10.1021/acs.jmedchem.2c01587 | |||
168285101 | 191753 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -190 | 3 | 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 | 191753 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -190 | 3 | 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 | |||
CHEMBL5080489 | 217177 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -16 | 3 | 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 | |||||
2247 | 505 | None | 55 | Human | Binding | pKi | = | 4.9 | 4.9 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | None | 55 | Human | Binding | pKi | = | 4.9 | 4.9 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | None | 55 | Human | Binding | pKi | = | 4.9 | 4.9 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pKi | = | 4.9 | 4.9 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | None | 55 | Human | Binding | pKi | = | 4.9 | 4.9 | -147 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
44401573 | 71222 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | ChEMBL | 568 | 13 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL195638 | 71222 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | ChEMBL | 568 | 13 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL420167 | 215702 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | -8 | 3 | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||||
CHEMBL266417 | 213142 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -8 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
10260053 | 168306 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | 4 | 3 | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL433413 | 168306 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | 4 | 3 | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
44322787 | 106020 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -12 | 3 | 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 | 106020 | None | 0 | Human | Binding | pKi | = | 6.9 | 6.9 | -12 | 3 | 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 | |||
CHEMBL2370965 | 212427 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44433439 | 89958 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -165 | 3 | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | |||
CHEMBL237976 | 89958 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -165 | 3 | 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 | |||
44323212 | 168822 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL436903 | 168822 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | 1 | 2 | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
11180881 | 66842 | None | 1 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 4 | 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 | 66842 | None | 1 | Human | Binding | pKi | = | 5.9 | 5.9 | -93 | 4 | 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 | |||
44395681 | 66891 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -100 | 4 | 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 | 66891 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -100 | 4 | 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 | |||
44415417 | 80177 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -12 | 3 | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL213380 | 80177 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -12 | 3 | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
10304463 | 76802 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -14 | 4 | 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 | 76802 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -14 | 4 | 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 | |||
9915636 | 66845 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -58 | 4 | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL186083 | 66845 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -58 | 4 | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44265715 | 10187 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -4 | 4 | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159702 | 10187 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -4 | 4 | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
10108894 | 89771 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237693 | 89771 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -2 | 4 | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
44434697 | 148781 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -6 | 4 | 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 | 148781 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -6 | 4 | 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 | |||
44434757 | 152830 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -7 | 3 | 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 | 152830 | None | 0 | Human | Binding | pKi | = | 4.9 | 4.9 | -7 | 3 | 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 | |||
25129105 | 177124 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -23 | 3 | 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 | 177124 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -23 | 3 | 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 | |||
CHEMBL5081077 | 217205 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -30 | 3 | 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 | |||||
172461542 | 196823 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -912 | 3 | ChEMBL | 961 | 12 | 14 | 11 | -0.7 | C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[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.2c01587 | |||
CHEMBL5432868 | 196823 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -912 | 3 | ChEMBL | 961 | 12 | 14 | 11 | -0.7 | C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[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.2c01587 | |||
44401418 | 124083 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -2 | 2 | ChEMBL | 621 | 14 | 6 | 4 | 3.3 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL362964 | 124083 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -2 | 2 | ChEMBL | 621 | 14 | 6 | 4 | 3.3 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44413913 | 138760 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -2 | 3 | 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 | 138760 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -2 | 3 | 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 | |||
CHEMBL2370963 | 212425 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -10 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
162670951 | 182944 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -33 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 182944 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -33 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162670951 | 182944 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -33 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 182944 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -33 | 2 | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
42630327 | 155961 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -5 | 3 | 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 | 155961 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -5 | 3 | 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 | |||
CHEMBL407809 | 215145 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -56 | 4 | 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 | |||||
CHEMBL409049 | 215205 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -12 | 3 | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
CHEMBL438235 | 216220 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | 1 | 2 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
44347219 | 16587 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -301 | 3 | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||
CHEMBL123938 | 16587 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -301 | 3 | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||
44347105 | 113409 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -13 | 3 | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL331728 | 113409 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -13 | 3 | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44393441 | 66450 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -1 | 4 | 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 | 66450 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -1 | 4 | ChEMBL | 502 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44434662 | 88548 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -4 | 4 | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235137 | 88548 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -4 | 4 | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434781 | 89938 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -15 | 4 | 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 | 89938 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -15 | 4 | 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 | |||
5624 | 32701 | None | 12 | Human | Binding | pKi | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL1203324 | 32701 | None | 12 | Human | Binding | pKi | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL141343 | 32701 | None | 12 | Human | Binding | pKi | = | 4.8 | 4.8 | -45 | 10 | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
44413970 | 139102 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -34 | 3 | 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 | 139102 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -34 | 3 | 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 | |||
44413938 | 139026 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2 | 3 | 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 | 139026 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2 | 3 | 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 | |||
44569176 | 172648 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -30 | 3 | 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 | 172648 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -30 | 3 | 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 | |||
11846669 | 80308 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -5 | 3 | 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 | 80308 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -5 | 3 | 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 | |||
168271934 | 190194 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -9 | 3 | 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 | 190194 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -9 | 3 | 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 | |||
1323 | 2688 | None | 38 | Human | Binding | pKi | = | 7.8 | 7.8 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
92432 | 2688 | None | 38 | Human | Binding | pKi | = | 7.8 | 7.8 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pKi | = | 7.8 | 7.8 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
44322977 | 111632 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2 | 3 | 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 | 111632 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2 | 3 | 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 | |||
44577092 | 178750 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -144 | 3 | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467586 | 178750 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -144 | 3 | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL427629 | 215818 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -7 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
24873537 | 146149 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -138 | 4 | 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 | 146149 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -138 | 4 | 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 | |||
44400661 | 124406 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -512 | 2 | ChEMBL | 620 | 11 | 2 | 5 | 6.1 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL363641 | 124406 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -512 | 2 | ChEMBL | 620 | 11 | 2 | 5 | 6.1 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1 | 10.1016/j.bmcl.2005.03.053 | |||
70693083 | 76957 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -6 | 3 | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929813 | 76957 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -6 | 3 | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070253 | 76957 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -6 | 3 | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
44434636 | 89334 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -3 | 4 | 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 | 89334 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -3 | 4 | ChEMBL | 469 | 12 | 3 | 3 | 5.6 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
9946241 | 89466 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -3 | 4 | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237079 | 89466 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -3 | 4 | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434782 | 90061 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -5 | 4 | 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 | 90061 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -5 | 4 | 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 | |||
44434693 | 167443 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -7 | 4 | 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 | 167443 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -7 | 4 | 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 | |||
10211466 | 169003 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -213 | 4 | 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 | 169003 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -213 | 4 | 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 | |||
4189 | 209380 | None | 58 | Human | Binding | pKi | = | 4.8 | 4.8 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 209380 | None | 58 | Human | Binding | pKi | = | 4.8 | 4.8 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 209380 | None | 58 | Human | Binding | pKi | = | 4.8 | 4.8 | -54 | 34 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
44409257 | 140673 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -67 | 3 | 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 | 140673 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -67 | 3 | 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 | |||
25133210 | 169560 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -13 | 3 | 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 | 169560 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -13 | 3 | 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 | |||
CHEMBL427666 | 215825 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -60 | 4 | 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 | |||||
CHEMBL2221249 | 211902 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | |||||
168273045 | 190363 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -1 | 4 | 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 | 190363 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -1 | 4 | 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 | |||
44415920 | 80402 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -13 | 3 | 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 | 80402 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | -13 | 3 | 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 | |||
44322959 | 156166 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -8 | 3 | 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 | 156166 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -8 | 3 | 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 | |||
25132864 | 172705 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -12 | 3 | 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 | 172705 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -12 | 3 | 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 | |||
25058412 | 189549 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -208 | 3 | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL513404 | 189549 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -208 | 3 | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
44434587 | 89472 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | 1 | 4 | 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 | 89472 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | 1 | 4 | 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 | |||
44434848 | 89002 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -11 | 4 | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236443 | 89002 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -11 | 4 | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
44434690 | 89340 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -19 | 4 | 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 | 89340 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -19 | 4 | 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 | |||
44434713 | 89630 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -14 | 4 | 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 | 89630 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -14 | 4 | 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 | |||
10109225 | 154762 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -10 | 4 | 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 | 154762 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -10 | 4 | 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 | |||
44409240 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | 74460 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -16 | 3 | 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 | |||
172449425 | 195974 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2818 | 3 | ChEMBL | 1148 | 14 | 16 | 18 | -2.8 | C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[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.2c01587 | |||
CHEMBL5414451 | 195974 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -2818 | 3 | ChEMBL | 1148 | 14 | 16 | 18 | -2.8 | C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[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.2c01587 | |||
1016 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3747 | None | 45 | Human | Binding | pKi | = | 4.8 | 4.8 | -56 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL5075506 | 216867 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -1348 | 3 | 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 | |||||
137658158 | 159811 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -63 | 3 | 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 | 159811 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -63 | 3 | 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 | |||
1323 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
92432 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
1323 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
92432 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL430239 | 2688 | None | 38 | Human | Binding | pKi | = | 7.7 | 7.7 | -48 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
44396002 | 124841 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -43 | 3 | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL364215 | 124841 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -43 | 3 | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | |||
11181804 | 128574 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -158 | 4 | 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 | 128574 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -158 | 4 | 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 | |||
23661656 | 169147 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -323 | 5 | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
CHEMBL439560 | 169147 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -323 | 5 | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
44434661 | 88547 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -4 | 4 | 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 | 88547 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -4 | 4 | ChEMBL | 415 | 11 | 2 | 3 | 4.4 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434603 | 89947 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -2 | 4 | 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 | 89947 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -2 | 4 | 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 | |||
44265496 | 97102 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -13 | 4 | 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 | 97102 | None | 0 | Human | Binding | pKi | = | 4.8 | 4.8 | -13 | 4 | 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 | |||
44409379 | 76549 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -85 | 3 | 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 | 76549 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -85 | 3 | 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 | |||
25132525 | 176830 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -2 | 3 | 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 | 176830 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -2 | 3 | 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 | |||
168270124 | 190064 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -14 | 3 | 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 | 190064 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -14 | 3 | 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 | |||
CHEMBL407213 | 215108 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -44 | 3 | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | |||||
44577091 | 178772 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -56 | 3 | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467772 | 178772 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -56 | 3 | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
10408 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | |||||
11490658 | 64964 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -301 | 2 | ChEMBL | 642 | 10 | 4 | 6 | 4.4 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
CHEMBL182277 | 64964 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -301 | 2 | ChEMBL | 642 | 10 | 4 | 6 | 4.4 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
CHEMBL88185 | 218386 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -11 | 3 | 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 | |||||
11296732 | 143900 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -43 | 3 | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL390130 | 143900 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -43 | 3 | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
10283036 | 140330 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -331 | 4 | 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 | 140330 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -331 | 4 | 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 | |||
11296732 | 143900 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -43 | 3 | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL390130 | 143900 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -43 | 3 | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44434772 | 88631 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -21 | 4 | 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 | 88631 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -21 | 4 | 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 | |||
44434621 | 146393 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | 146393 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | |||
9969456 | 147705 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 4 | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393125 | 147705 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 4 | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434845 | 147991 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -12 | 4 | 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 | 147991 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -12 | 4 | 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 | |||
71454518 | 79181 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -12 | 4 | 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 | 79181 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -12 | 4 | 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 | |||
11845444 | 80098 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 3 | 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 | 80098 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 3 | 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 | |||
137631599 | 156617 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -288 | 3 | 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 | 156617 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -288 | 3 | 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 | |||
11847001 | 80259 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -138 | 3 | 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 | 80259 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -138 | 3 | 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 | |||
156010247 | 177177 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 4 | 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 | 177177 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -11 | 4 | 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 | |||
10408 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | |||||
9941379.0 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | 720 | None | 23 | Human | Binding | pKi | = | 6.7 | 6.7 | -23 | 4 | 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 | |||||
57646411 | 76949 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | -5 | 4 | 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 | 76949 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | -5 | 4 | 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 | |||
57646441 | 76948 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | -20 | 4 | 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 | 76948 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | -20 | 4 | 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 | |||
CHEMBL408843 | 215195 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | -6 | 3 | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
CHEMBL2370533 | 212327 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -9 | 3 | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
CHEMBL331259 | 213820 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -70 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | |||||
44323029 | 209639 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -5 | 3 | 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 | 209639 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -5 | 3 | 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 | |||
168284733 | 191733 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -6 | 3 | 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 | 191733 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -6 | 3 | 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 | |||
44577062 | 193483 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -48 | 3 | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL525177 | 193483 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -48 | 3 | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
11296600 | 123009 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -309 | 4 | 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 | 123009 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -309 | 4 | 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 | |||
10180932 | 89441 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -3 | 4 | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237051 | 89441 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -3 | 4 | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434695 | 89460 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -8 | 4 | 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 | 89460 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -8 | 4 | 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 | |||
44434766 | 154804 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -10 | 4 | 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 | 154804 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -10 | 4 | 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 | |||
25128749 | 178575 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -25 | 3 | 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 | 178575 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -25 | 3 | 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 | |||
44416152 | 81129 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -38 | 3 | 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 | 81129 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -38 | 3 | 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 | |||
25129109 | 188809 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -34 | 3 | 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 | 188809 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -34 | 3 | 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 | |||
44322812 | 112445 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -4 | 3 | 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 | 112445 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -4 | 3 | 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 | |||
44434584 | 152031 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | 1 | 4 | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396638 | 152031 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | 1 | 4 | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 88631 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -21 | 4 | 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 | 88631 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -21 | 4 | 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 | 89340 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -19 | 4 | 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 | 89340 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -19 | 4 | 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 | |||
10291369 | 169025 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -3 | 3 | 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 | 169025 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -3 | 3 | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
2726 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
2726.0 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 919 | None | 48 | Human | Binding | pKi | = | 4.7 | 4.7 | -186 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
25132867 | 172601 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -6 | 3 | 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 | 172601 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -6 | 3 | 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 | |||
44413932 | 137633 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -4 | 3 | 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 | 137633 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -4 | 3 | 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 | |||
CHEMBL2070244 | 211643 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | -21 | 4 | 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 | |||||
44577093 | 178751 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -275 | 3 | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467587 | 178751 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -275 | 3 | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | |||
11341045 | 66187 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -123 | 4 | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL184275 | 66187 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -123 | 4 | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
44434760 | 88551 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -7 | 4 | 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 | 88551 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -7 | 4 | 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 | |||
44434691 | 89459 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | 89459 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | |||
44434701 | 89535 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -16 | 4 | 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 | 89535 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -16 | 4 | 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 | |||
44434778 | 89777 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -27 | 4 | 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 | 89777 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -27 | 4 | 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 | |||
44434655 | 90056 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | 90056 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -6 | 4 | 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 | |||
44434855 | 90064 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -10 | 4 | 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 | 90064 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -10 | 4 | 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 | |||
168283984 | 191355 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -3 | 4 | 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 | 191355 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -3 | 4 | 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 | |||
44415956 | 142043 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -17 | 3 | 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 | 142043 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -17 | 3 | 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 | 142043 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -17 | 3 | 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 | 142043 | None | 0 | Human | Binding | pKi | = | 4.7 | 4.7 | -17 | 3 | 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 | |||
44409103 | 140210 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -2 | 3 | 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 | 140210 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -2 | 3 | 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 | |||
168283616 | 191348 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -11 | 3 | 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 | 191348 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -11 | 3 | 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 | |||
44323015 | 111496 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -3 | 3 | 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 | 111496 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -3 | 3 | 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 | |||
23635107 | 91592 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -81 | 3 | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | |||
CHEMBL240571 | 91592 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -81 | 3 | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | |||
23635107 | 91592 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -81 | 3 | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL240571 | 91592 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -81 | 3 | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
11477853 | 66915 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -63 | 3 | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL186439 | 66915 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -63 | 3 | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
44562414 | 176922 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -95 | 3 | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL460942 | 176922 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -95 | 3 | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
1338 | 3807 | None | 36 | Human | Binding | pKi | = | 5.6 | 5.6 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pKi | = | 5.6 | 5.6 | -75 | 4 | 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 | 3807 | None | 36 | Human | Binding | pKi | = | 5.6 | 5.6 | -75 | 4 | 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 | |||
44394079 | 126833 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -85 | 4 | 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 | 126833 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -85 | 4 | 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 | |||
9867330 | 97894 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -100 | 2 | 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 | 97894 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -100 | 2 | 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 | |||
44397283 | 67187 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -181 | 3 | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL187659 | 67187 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -181 | 3 | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
44434692 | 88559 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -12 | 4 | 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 | 88559 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -12 | 4 | 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 | |||
44434847 | 88991 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -6 | 4 | 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 | 88991 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -6 | 4 | 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 | |||
44434778 | 89777 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -27 | 4 | 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 | 89777 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -27 | 4 | 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 | |||
44434765 | 161865 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -20 | 4 | 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 | 161865 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -20 | 4 | 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 | |||
137655905 | 158920 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -64 | 3 | 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 | 158920 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -64 | 3 | 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 | |||
16007263 | 79827 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -41 | 3 | 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 | 79827 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -41 | 3 | 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 | |||
24848995 | 118011 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | 11 | 3 | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL340355 | 118011 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | 11 | 3 | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL263878 | 213057 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1 | 3 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
44347331 | 16334 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -181 | 3 | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
CHEMBL122773 | 16334 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -181 | 3 | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
24180646 | 148270 | None | 0 | Rat | Binding | pKi | = | 6.6 | 6.6 | -338 | 7 | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL393576 | 148270 | None | 0 | Rat | Binding | pKi | = | 6.6 | 6.6 | -338 | 7 | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
11237444 | 127532 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -457 | 3 | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL366042 | 127532 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -457 | 3 | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
44397304 | 126894 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -199 | 4 | 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 | 126894 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -199 | 4 | 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 | |||
44434764 | 88594 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -11 | 4 | 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 | 88594 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -11 | 4 | 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 | |||
44434884 | 88645 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235617 | 88645 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434689 | 89209 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -19 | 4 | 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 | 89209 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -19 | 4 | ChEMBL | 431 | 14 | 2 | 2 | 5.9 | NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10291370 | 146054 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -28 | 4 | 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 | 146054 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -28 | 4 | 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 | |||
44434762 | 153099 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -13 | 4 | 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 | 153099 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -13 | 4 | 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 | |||
44409140 | 141373 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -10 | 3 | 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 | 141373 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -10 | 3 | 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 | |||
44401386 | 69546 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -2 | 2 | ChEMBL | 593 | 12 | 6 | 4 | 3.6 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL193409 | 69546 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -2 | 2 | ChEMBL | 593 | 12 | 6 | 4 | 3.6 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
137636677 | 156191 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -50 | 3 | 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 | 156191 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -50 | 3 | 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 | |||
137636965 | 156307 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -23 | 3 | 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 | 156307 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -23 | 3 | 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 | |||
44409337 | 170564 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -114 | 3 | 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 | 170564 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -114 | 3 | 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 | |||
CHEMBL2370553 | 212329 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -16 | 3 | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
44401440 | 70144 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1 | 2 | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL194011 | 70144 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1 | 2 | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
11341046 | 66901 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -95 | 4 | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186339 | 66901 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -95 | 4 | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
44562440 | 179147 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -38 | 3 | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL471340 | 179147 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -38 | 3 | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
44434880 | 88644 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -16 | 4 | 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 | 88644 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -16 | 4 | 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 | |||
44434647 | 89624 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -4 | 4 | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237483 | 89624 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -4 | 4 | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
44434767 | 89769 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -17 | 4 | 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 | 89769 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -17 | 4 | 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 | |||
44434868 | 149639 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | 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 | 149639 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | 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 | |||
44434762 | 153099 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -13 | 4 | 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 | 153099 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -13 | 4 | 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 | |||
44434768 | 154805 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | 154805 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | |||
11308054 | 133685 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -8 | 2 | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL371365 | 133685 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -8 | 2 | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44413914 | 139605 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -40 | 3 | 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 | 139605 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -40 | 3 | 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 | |||
168289457 | 191489 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -16 | 3 | 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 | 191489 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -16 | 3 | 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 | |||
44456222 | 97978 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -223 | 3 | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | |||
CHEMBL272538 | 97978 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -223 | 3 | 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 | |||
44323033 | 107208 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -8 | 3 | 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 | 107208 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -8 | 3 | 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 | |||
44434694 | 88635 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -12 | 4 | 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 | 88635 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -12 | 4 | 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 | |||
44434761 | 89201 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -3 | 4 | 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 | 89201 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -3 | 4 | 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 | |||
44434592 | 89549 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237315 | 89549 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434682 | 148692 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | 148692 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | |||
172441036 | 195202 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1862 | 3 | ChEMBL | 944 | 11 | 12 | 11 | -0.1 | C[C@H]1NC(=O)c2cc(C#N)ccc2SC[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.2c01587 | |||
CHEMBL5398659 | 195202 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1862 | 3 | ChEMBL | 944 | 11 | 12 | 11 | -0.1 | C[C@H]1NC(=O)c2cc(C#N)ccc2SC[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.2c01587 | |||
25131477 | 178806 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -42 | 3 | 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 | 178806 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -42 | 3 | 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 | |||
CHEMBL5075712 | 216882 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -181 | 3 | 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 | |||||
57817763 | 76955 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -338 | 4 | 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 | 76955 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -338 | 4 | 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 | 76955 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -338 | 4 | 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 | 76955 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -338 | 4 | 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 | |||
23635237 | 91487 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -45 | 3 | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | |||
CHEMBL240364 | 91487 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -45 | 3 | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | |||
23635237 | 91487 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -45 | 3 | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL240364 | 91487 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -45 | 3 | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
44401513 | 69184 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | 1 | 2 | ChEMBL | 612 | 13 | 5 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL192450 | 69184 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | 1 | 2 | ChEMBL | 612 | 13 | 5 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44434581 | 167147 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | 1 | 4 | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL428903 | 167147 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | 1 | 4 | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 88631 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -21 | 4 | 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 | 88631 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -21 | 4 | 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 | |||
44434683 | 89337 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | 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 | 89337 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | 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 | |||
44434769 | 89773 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -16 | 4 | 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 | 89773 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -16 | 4 | 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 | |||
44434650 | 89933 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | 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 | 89933 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | ChEMBL | 389 | 11 | 2 | 2 | 4.8 | NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434651 | 89934 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | 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 | 89934 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | 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 | |||
44434654 | 90055 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | 90055 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | 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 | |||
44434863 | 148232 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393552 | 148232 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -10 | 4 | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
168282596 | 191015 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -2 | 4 | 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 | 191015 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -2 | 4 | 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 | |||
168281389 | 191031 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -7 | 3 | 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 | 191031 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | -7 | 3 | 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 | |||
44323233 | 106772 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -4 | 2 | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL314401 | 106772 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -4 | 2 | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44322986 | 106153 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -7 | 3 | 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 | 106153 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -7 | 3 | 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 | |||
11249545 | 66225 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -478 | 4 | 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 | 66225 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -478 | 4 | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | |||
11364326 | 66707 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -134 | 3 | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL185455 | 66707 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -134 | 3 | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
24740653 | 88626 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -758 | 3 | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
CHEMBL235556 | 88626 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -758 | 3 | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
44265707 | 10186 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -4 | 4 | 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 | 10186 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -4 | 4 | ChEMBL | 354 | 10 | 3 | 4 | 2.1 | C=CCOC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434759 | 88550 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | 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 | 88550 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -7 | 4 | 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 | |||
44434688 | 89207 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236640 | 89207 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -8 | 4 | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168286369 | 191821 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -4 | 4 | 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 | 191821 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -4 | 4 | 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 | |||
137640703 | 157189 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -218 | 3 | 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 | 157189 | None | 0 | Human | Binding | pKi | = | 4.6 | 4.6 | -218 | 3 | 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 | |||
25133209 | 173455 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -56 | 3 | 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 | |||