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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50232011'   
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


(Sus scrofa)
BDBM50232011
PNG
(CHEMBL4096720)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1cc(-[#8])ccc1-[#8] |r,t:11|
Show InChI InChI=1S/C21H26O4/c1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/b15-8+/t20-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomal HMG-CoA reductase by colorimetric method


J Med Chem 61: 3609-3625 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00107
BindingDB Entry DOI: 10.7270/Q2ZS3045
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)
BDBM50232011
PNG
(CHEMBL4096720)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1cc(-[#8])ccc1-[#8] |r,t:11|
Show InChI InChI=1S/C21H26O4/c1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/b15-8+/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in pig liver microsomes using HMG-CoA as substrate preincubated for 5 mins followed by NADPH addition measured after ...


Eur J Med Chem 127: 1035-1046 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.015
BindingDB Entry DOI: 10.7270/Q290260N
More data for this
Ligand-Target Pair