Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50052372'   

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)	BDBM50052372 (3-(4-Thiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1nccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.63,-8.12,;13.18,-9.98,;13.48,-11.45,;12,-10.79,;10.34,-11.51,;10.13,-10.02,;11.72,-9.32,;11.72,-7.49,;12.28,-8.74,;14.73,-9.99,;15.47,-11.31,;17.02,-11.31,;17.78,-9.99,;16.99,-8.66,;15.47,-8.66,;19.31,-9.98,;20.22,-8.64,;21.64,-9.2,;21.66,-10.75,;20.22,-11.24,)| Show InChI InChI=1S/C16H18N2OS/c19-16(11-18-8-5-14(16)6-9-18)13-3-1-12(2-4-13)15-17-7-10-20-15/h1-4,7,10,14,19H,5-6,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	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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