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BDBM50057079 (2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-(4'-methoxy-biphenyl-4-yl)-hexanoic acid::CHEMBL9074

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

InChI Key: InChIKey=FAJSWDUTNDYTOS-CMTIAEDTSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50057079   
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))
BDBM50057079
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/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))
BDBM50057079
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/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