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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 = 'BDBM50321265'   
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)
BDBM50321265
PNG
(CHEMBL1164000 | N-(2-(4-allyl-2-methoxyphenoxy)eth...)
Show SMILES COc1cc(CC=C)ccc1OCCNC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO3/c1-3-5-14-8-9-17(18(12-14)23-2)24-11-10-21-19(22)15-6-4-7-16(20)13-15/h3-4,6-9,12-13H,1,5,10-11H2,2H3,(H,21,22)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.39E+5n/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