BDBM50052340 3-(4-[1,3]Dioxan-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL102110

SMILES: OC1(CN2CCC1CC2)c1ccc(cc1)C1OCCCO1

InChI Key: InChIKey=YXISPSZRYQWDQP-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 = 50052340   

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)	BDBM50052340 (3-(4-[1,3]Dioxan-2-yl-phenyl)-1-aza-bicyclo[2.2.2]...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)C1OCCCO1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(11.68,-7.51,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;10.66,-8.12,;10.15,-6.94,;10.15,-8.64,;8.69,-9.28,;8.89,-10.66,;13.04,-9.25,;13.81,-10.6,;15.35,-10.6,;16.12,-9.25,;15.35,-7.92,;13.81,-7.92,;17.66,-9.25,;18.43,-7.94,;19.97,-7.94,;20.74,-9.27,;19.97,-10.6,;18.43,-10.6,)| Show InChI InChI=1S/C17H23NO3/c19-17(12-18-8-6-15(17)7-9-18)14-4-2-13(3-5-14)16-20-10-1-11-21-16/h2-5,15-16,19H,1,6-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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