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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057063'   
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))
BDBM50057063
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-phenylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C35H43FN2O4/c1-5-6-10-28(34(41)42)23-27(18-15-24-13-16-25(17-14-24)26-19-21-29(36)22-20-26)32(39)38-31(35(2,3)4)33(40)37-30-11-8-7-9-12-30/h7-9,11-14,16-17,19-22,27-28,31H,5-6,10,15,18,23H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27-,28+,31-/m1/s1
PDB
MMDB

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Article
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4n/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