BDBM50052378 3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL316840

SMILES: OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccn1

InChI Key: InChIKey=WFMGMCPXAIFZLZ-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 = 50052378   

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)	BDBM50052378 (3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccn1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.07,-8.2,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-8.7,;16.68,-8.7,;17.45,-10.04,;16.68,-11.36,;15.16,-11.36,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.04,;21.3,-11.36,;19.76,-11.36,)| Show InChI InChI=1S/C18H20N2O/c21-18(13-20-11-8-16(18)9-12-20)15-6-4-14(5-7-15)17-3-1-2-10-19-17/h1-7,10,16,21H,8-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	240	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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