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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 (HMG-CoA)' and Ligand = 'BDBM50030656'   
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 (HMG-CoA)


(Homo sapiens (Human))
BDBM50030656
PNG
(CHEMBL3344540)
Show SMILES CCCC(=O)c1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C14H18O6/c1-4-5-10(15)9-6-12(18-2)13(7-11(9)16)20-8-14(17)19-3/h6-7,16H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of human HMG-CoA reductase after 30 mins


Bioorg Med Chem 22: 5871-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.022
BindingDB Entry DOI: 10.7270/Q2833TM8
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50030656
PNG
(CHEMBL3344540)
Show SMILES CCCC(=O)c1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C14H18O6/c1-4-5-10(15)9-6-12(18-2)13(7-11(9)16)20-8-14(17)19-3/h6-7,16H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically


Bioorg Med Chem 22: 5871-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.022
BindingDB Entry DOI: 10.7270/Q2833TM8
More data for this
Ligand-Target Pair