BDBM50052377 3-(Biphenyl-4-ylsulfanylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL319172

SMILES: OC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2

InChI Key: InChIKey=VENATLDJGBZYNB-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052377   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthetase (Rattus norvegicus)	BDBM50052377 (3-(Biphenyl-4-ylsulfanylmethyl)-1-aza-bicyclo[2.2....) Show SMILES OC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-10.14,;13.28,-10.14,;14.12,-11.43,;15.68,-11.32,;16.49,-12.62,;18.05,-12.55,;18.73,-11.15,;17.89,-9.86,;16.35,-9.96,;20.26,-11.07,;21.12,-12.36,;22.66,-12.27,;23.36,-10.87,;22.5,-9.58,;20.96,-9.68,;12.05,-11.64,;10.56,-10.96,;8.88,-11.67,;8.67,-10.17,;10.28,-9.47,;10.28,-7.62,;10.84,-8.9,)| Show InChI InChI=1S/C20H23NOS/c22-20(14-21-12-10-18(20)11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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
					More data for this Ligand-Target Pair