Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50049228'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50049228 (CHEMBL158448 | Tripotassium salt of 4-{3-[2-(3-Met...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1ccccc1-[#8]-c1cccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)c1 Show InChI InChI=1S/C21H27O7PS/c1-16(2)13-14-18-9-3-4-11-20(18)28-19-10-5-7-17(15-19)8-6-12-21(29(22,23)24)30(25,26)27/h3-5,7,9-11,13,15,21H,6,8,12,14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/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
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