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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057089'   
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))
BDBM50057089
PNG
((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-2-methyl-4-((S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)C[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C32H37FN2O4/c1-21(2)19-29(31(37)34-28-7-5-4-6-8-28)35-30(36)26(20-22(3)32(38)39)14-11-23-9-12-24(13-10-23)25-15-17-27(33)18-16-25/h4-10,12-13,15-18,21-22,26,29H,11,14,19-20H2,1-3H3,(H,34,37)(H,35,36)(H,38,39)/t22-,26+,29-/m0/s1
PDB
MMDB

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PC cid
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Article
PubMed
38n/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