BDBM50356021 CHEMBL1911531

SMILES: Cc1c(COc2cccc(OCC3CCOCC3)c2)nc2ccc(F)cc2c1O

InChI Key: InChIKey=VFXPGUSWBCYCOT-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 = 50356021   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50356021 (CHEMBL1911531) Show SMILES Cc1c(COc2cccc(OCC3CCOCC3)c2)nc2ccc(F)cc2c1O Show InChI InChI=1S/C23H24FNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 6861-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.015 BindingDB Entry DOI: 10.7270/Q2HH6KG1
					More data for this Ligand-Target Pair