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BDBM50057039 (2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexanoic acid::CHEMBL8753

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

InChI Key: InChIKey=VFGGQXYFBRUJJO-RMTZWNOUSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50057039   
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))
BDBM50057039
PNG
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
11n/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))
BDBM50057039
PNG
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/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