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SMILES: [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc2ccccc2n1

InChI Key: InChIKey=AHHKHRLKKVFADS-AJOFXCDPSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006415   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50006415
PNG
(CHEMBL2367475 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...)
Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C28H28FN3O4.Na/c1-17(2)27-23(13-12-21(33)15-22(34)16-26(35)36)28(19-7-10-20(29)11-8-19)32(31-27)25-14-9-18-5-3-4-6-24(18)30-25;/h3-14,17,21-22,33-34H,15-16H2,1-2H3,(H,35,36);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1
PDB

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 62n/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