BDBM50052364 3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL329766

SMILES: OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1

InChI Key: InChIKey=HEGWQOPYJYZZQG-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 = 50052364   

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)	BDBM50052364 (3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]oct...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.57,-8.02,;13.24,-10.07,;13.54,-11.57,;12.05,-10.89,;10.38,-11.6,;10.17,-10.1,;11.77,-9.41,;11.77,-7.56,;12.33,-8.84,;14.79,-10.09,;15.53,-11.42,;17.09,-11.42,;17.85,-10.09,;17.06,-8.75,;15.53,-8.75,;19.4,-10.07,;20.29,-8.84,;21.73,-9.29,;21.75,-10.86,;20.3,-11.32,)| Show InChI InChI=1S/C17H19NOS/c19-17(12-18-9-7-15(17)8-10-18)14-5-3-13(4-6-14)16-2-1-11-20-16/h1-6,11,15,19H,7-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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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