BDBM50052356 3-(4-Cyclohexyl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL317316

SMILES: OC1(CN2CCC1CC2)c1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=ITJFPXNGZMXSND-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 = 50052356   

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)	BDBM50052356 (3-(4-Cyclohexyl-phenyl)-1-aza-bicyclo[2.2.2]octan-...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)C1CCCCC1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(11.75,-7.58,;11.5,-9.41,;11.79,-10.79,;10.41,-10.15,;8.89,-10.82,;8.69,-9.44,;10.15,-8.8,;10.15,-7.1,;10.66,-8.26,;13.04,-9.41,;13.81,-8.06,;15.35,-8.06,;16.12,-9.41,;15.35,-10.75,;13.81,-10.75,;17.66,-9.41,;18.43,-8.08,;19.97,-8.08,;20.74,-9.41,;19.97,-10.76,;18.43,-10.75,)| Show InChI InChI=1S/C19H27NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-9,15,18,21H,1-5,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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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