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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 = 'BDBM50006417'   
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


(Homo sapiens (Human))		BDBM50006417
PNG
(CHEMBL2367471 | Sodium; 7-[1-benzothiazol-2-yl-5-(...)
Show SMILES [Na+].CC(C)c1nn(-c2nc3ccccc3s2)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN3O4S.Na/c1-15(2)24-20(12-11-18(31)13-19(32)14-23(33)34)25(16-7-9-17(27)10-8-16)30(29-24)26-28-21-5-3-4-6-22(21)35-26;/h3-12,15,18-19,31-32H,13-14H2,1-2H3,(H,33,34);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 59n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.

J Med Chem 35: 2095-103 (1992)


BindingDB Entry DOI: 10.7270/Q2HH6KN8
More data for this
Ligand-Target Pair