Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50292869'   

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 (Homo sapiens (Human))	BDBM50292869 (1-Phosphono-3-(3-phenoxyphenyl)propylsulfonic Acid...) Show SMILES [O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)10-9-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,16,17,18)(H,19,20,21)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
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