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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057070'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50057070
PNG
((2S,4R)-6-(3'-Amino-biphenyl-4-yl)-2-butyl-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cccc(N)c1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C35H45N3O4/c1-5-6-11-28(34(41)42)22-27(21-18-24-16-19-25(20-17-24)26-12-10-13-29(36)23-26)32(39)38-31(35(2,3)4)33(40)37-30-14-8-7-9-15-30/h7-10,12-17,19-20,23,27-28,31H,5-6,11,18,21-22,36H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27-,28+,31-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
27n/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