BDBM50029158 CHEMBL423520::[3-(4-Butoxy-phenoxy)-2-methoxy-propyl]-isopropyl-amine

SMILES: CCCCOc1ccc(OCC(CNC(C)C)OC)cc1

InChI Key: InChIKey=RVGCVBUPAVUFFD-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 = 50029158   

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)	BDBM50029158 (CHEMBL423520 | [3-(4-Butoxy-phenoxy)-2-methoxy-pro...) Show SMILES CCCCOc1ccc(OCC(CNC(C)C)OC)cc1 Show InChI InChI=1S/C17H29NO3/c1-5-6-11-20-15-7-9-16(10-8-15)21-13-17(19-4)12-18-14(2)3/h7-10,14,17-18H,5-6,11-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair