BDBM50356018 CHEMBL1911538

SMILES: Cc1c(COc2cc(OCCC(C)(C)O)ccn2)nc2ccccc2c1O

InChI Key: InChIKey=JJUYZHJELDSQJK-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 = 50356018   

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))	BDBM50356018 (CHEMBL1911538) Show SMILES Cc1c(COc2cc(OCCC(C)(C)O)ccn2)nc2ccccc2c1O Show InChI InChI=1S/C21H24N2O4/c1-14-18(23-17-7-5-4-6-16(17)20(14)24)13-27-19-12-15(8-10-22-19)26-11-9-21(2,3)25/h4-8,10,12,25H,9,11,13H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+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