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BDBM50014838 (E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl-pyridin-3-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one::CHEMBL2368192

SMILES: CC(C)(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1

InChI Key: InChIKey=QLFJBQCFNCGPCF-WRBWEIJPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014838   
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
HMG-CoA reductase


(Rattus norvegicus (rat))		BDBM50014838
PNG
((E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl...)
Show SMILES CC(C)(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C28H28FNO3/c1-28(2,3)27-23(14-13-22-15-21(31)16-26(32)33-22)24(18-9-11-20(29)12-10-18)17-25(30-27)19-7-5-4-6-8-19/h4-14,17,21-22,31H,15-16H2,1-3H3/b14-13+/t21-,22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver HMG-CoA reductase

J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair