BDBM50356024 CHEMBL1911541

SMILES: Cc1c(COc2cccc(OCC3CCOCC3)n2)nc2ccccc2c1O

InChI Key: InChIKey=AQNDRGXFXZWVNR-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 = 50356024   

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))	BDBM50356024 (CHEMBL1911541) Show SMILES Cc1c(COc2cccc(OCC3CCOCC3)n2)nc2ccccc2c1O Show InChI InChI=1S/C22H24N2O4/c1-15-19(23-18-6-3-2-5-17(18)22(15)25)14-28-21-8-4-7-20(24-21)27-13-16-9-11-26-12-10-16/h2-8,16H,9-14H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	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