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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50049221'   
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
Squalene synthase


(Rattus norvegicus)		BDBM50049221
PNG
(CHEMBL158978 | Tripotassium salt of 4-(4'-But-1-en...)
Show SMILES [#6]\[#6](-[#6])=[#6]/c1ccc(cc1)-c1ccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)cc1
Show InChI InChI=1S/C20H25O6PS/c1-15(2)14-17-8-12-19(13-9-17)18-10-6-16(7-11-18)4-3-5-20(27(21,22)23)28(24,25)26/h6-14,20H,3-5H2,1-2H3,(H2,21,22,23)(H,24,25,26)/p-3
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand

J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair