BDBM50052365 3-Biphenyl-4-yl-3-methoxy-1-aza-bicyclo[2.2.2]octane::CHEMBL102188

SMILES: COC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MLPWEWCMSUPROQ-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 = 50052365   

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)	BDBM50052365 (3-Biphenyl-4-yl-3-methoxy-1-aza-bicyclo[2.2.2]octa...) Show SMILES COC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:10:2:6.5:8.9,1:2:6.5:8.9,(12.8,-6.52,;11.68,-7.17,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;8.89,-10.66,;8.69,-9.28,;10.15,-8.64,;10.15,-6.94,;10.66,-8.12,;13.04,-9.25,;13.81,-7.92,;15.35,-7.92,;16.12,-9.25,;15.35,-10.6,;13.81,-10.6,;17.66,-9.25,;18.43,-10.59,;19.97,-10.59,;20.74,-9.25,;19.97,-7.9,;18.43,-7.92,)| Show InChI InChI=1S/C20H23NO/c1-22-20(15-21-13-11-19(20)12-14-21)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
					More data for this Ligand-Target Pair