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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 = 'BDBM50321274'   
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)
BDBM50321274
PNG
(CHEMBL1163189 | Methyl 2-(5-hydroxy-2-methoxy-4-pr...)
Show SMILES CCCc1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C13H18O5/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7,14H,4-5,8H2,1-3H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.65E+4n/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