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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HMG-CoA reductase' and Ligand = 'BDBM50346282'   
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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346282
PNG
(CHEMBL1782555 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Show InChI InChI=1S/C28H32FN3O6/c1-38-23-10-2-17(3-11-23)16-30-28(37)25-26(18-4-5-18)32(13-12-21(33)14-22(34)15-24(35)36)27(31-25)19-6-8-20(29)9-7-19/h2-3,6-11,18,21-22,33-34H,4-5,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair