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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 = 'BDBM50291255'   
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


(Rattus norvegicus (rat))		BDBM50291255
PNG
(CHEMBL358623 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)
Show SMILES [#6]-[#6](-[#6])-c1sc(\[#6]=[#6](/[#6])-[#6])c(c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H29FO4S/c1-14(2)11-21-23(16-5-7-17(25)8-6-16)20(24(30-21)15(3)4)10-9-18(26)12-19(27)13-22(28)29/h5-11,15,18-19,26-27H,12-13H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1
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Article
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation

Bioorg Med Chem Lett 7: 549-554 (1997)


Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ
More data for this
Ligand-Target Pair