Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50052368'   

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)	BDBM50052368 (3-[2,2']Bithiophenyl-5-yl-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(s1)-c1cccs1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.56,-7.1,;12.36,-8.82,;12.65,-10.21,;11.27,-9.57,;11.53,-7.68,;11.02,-6.52,;11.02,-8.22,;9.56,-8.87,;9.75,-10.25,;13.9,-8.82,;14.82,-7.58,;16.27,-8.03,;16.28,-9.6,;14.82,-10.09,;17.53,-10.5,;17.53,-12.06,;18.99,-12.51,;19.89,-11.27,;18.99,-10.02,)| Show InChI InChI=1S/C15H17NOS2/c17-15(10-16-7-5-11(15)6-8-16)14-4-3-13(19-14)12-2-1-9-18-12/h1-4,9,11,17H,5-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+3	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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