Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50052367'   

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)	BDBM50052367 (3-(Biphenyl-4-ylsulfanyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES C1CN2CCC1C(C2)Sc1ccc(cc1)-c1ccccc1 |TLB:8:6:0.1:4.3,(11.19,-7.07,;11.75,-8.32,;11.47,-10.38,;9.79,-11.12,;9.58,-9.62,;11.19,-8.92,;12.65,-9.58,;12.96,-11.08,;13.86,-8.6,;15.3,-9.18,;16.5,-8.22,;17.93,-8.78,;18.17,-10.31,;16.95,-11.26,;15.52,-10.7,;19.6,-10.87,;20.79,-9.9,;22.22,-10.45,;22.47,-11.99,;21.25,-12.97,;19.81,-12.4,)| Show InChI InChI=1S/C19H21NS/c1-2-4-15(5-3-1)16-6-8-18(9-7-16)21-19-14-20-12-10-17(19)11-13-20/h1-9,17,19H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
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