BDBM50052345 3-(4-Pyridin-4-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100691

SMILES: OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=PLLNWUDDSQLENO-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 = 50052345   

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)	BDBM50052345 (3-(4-Pyridin-4-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.2,-8.13,;12.89,-10.05,;13.18,-11.57,;11.71,-10.88,;11.98,-8.83,;11.43,-7.56,;11.43,-9.41,;9.84,-10.1,;10.05,-11.6,;14.43,-10.08,;15.2,-11.4,;16.73,-11.4,;17.5,-10.08,;16.73,-8.74,;15.2,-8.74,;19.06,-10.07,;19.82,-8.74,;21.36,-8.74,;22.13,-10.08,;21.37,-11.4,;19.83,-11.4,)| Show InChI InChI=1S/C18H20N2O/c21-18(13-20-11-7-17(18)8-12-20)16-3-1-14(2-4-16)15-5-9-19-10-6-15/h1-6,9-10,17,21H,7-8,11-13H2	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	161	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