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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057085'   
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))		BDBM50057085
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C36H46N2O4/c1-6-7-11-31(35(41)42)24-30(33(39)38-32(34(40)37-5)36(2,3)4)19-16-25-14-17-27(18-15-25)29-22-20-28(21-23-29)26-12-9-8-10-13-26/h8-10,12-15,17-18,20-23,30-32H,6-7,11,16,19,24H2,1-5H3,(H,37,40)(H,38,39)(H,41,42)/t30-,31+,32-/m1/s1
PDB
MMDB

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Similars
Article
PubMed
 39n/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