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BDBM50057077 (2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexanoic acid::CHEMBL8847

SMILES: CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O

InChI Key: InChIKey=LGJQFTJRPHIEEF-UODIDJSMSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50057077   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50057077
PNG
((2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-(...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H43N3O5/c1-6-7-8-25(30(38)39)19-24(28(36)34-26(29(37)33-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27(32)35/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t24-,25+,26-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057077
PNG
((2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-(...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H43N3O5/c1-6-7-8-25(30(38)39)19-24(28(36)34-26(29(37)33-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27(32)35/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t24-,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair