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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50321269'   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Schizosaccharomyces pombe)
BDBM50321269
PNG
(CHEMBL1163835 | methyl 2-(4-ethylphenoxy)acetate)
Show SMILES CCc1ccc(OCC(=O)OC)cc1
Show InChI InChI=1S/C11H14O3/c1-3-9-4-6-10(7-5-9)14-8-11(12)13-2/h4-7H,3,8H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.32E+6n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4238-48 (2010)


Article DOI: 10.1016/j.bmc.2010.04.096
BindingDB Entry DOI: 10.7270/Q2KW5H0Z
More data for this
Ligand-Target Pair