BDBM50443780 CHEMBL3094122

SMILES: Cn1c2ccc(COc3ccc4CCN(CCc4c3)C3CCC3)cc2ccc1=O

InChI Key: InChIKey=JBIYYPWYTHJKBM-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 = 50443780   

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))	BDBM50443780 (CHEMBL3094122) Show SMILES Cn1c2ccc(COc3ccc4CCN(CCc4c3)C3CCC3)cc2ccc1=O Show InChI InChI=1S/C25H28N2O2/c1-26-24-9-5-18(15-21(24)7-10-25(26)28)17-29-23-8-6-19-11-13-27(22-3-2-4-22)14-12-20(19)16-23/h5-10,15-16,22H,2-4,11-14,17H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair