BDBM50143955 2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-N-(4-methoxy-benzyl)-2-(4-trifluoromethyl-phenyl)-acetamide::CHEMBL60622

SMILES: COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=DZUGSBICBIZJLT-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50143955   

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))	BDBM50143955 (2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-pipe...) Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H36F3N3O5/c1-40-26-9-3-22(4-10-26)19-35-30(39)29(23-5-7-24(8-6-23)31(32,33)34)37-17-15-36(16-18-37)20-25(38)21-42-28-13-11-27(41-2)12-14-28/h3-14,25,29,38H,15-21H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description Predictive competitive inhibition of cytochrome P450 2D6 was determined in silico				Bioorg Med Chem Lett 14: 2025-30 (2004) Article DOI: 10.1016/j.bmcl.2004.02.078 BindingDB Entry DOI: 10.7270/Q22J6B8R
					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Rattus norvegicus)	BDBM50143955 (2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-pipe...) Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H36F3N3O5/c1-40-26-9-3-22(4-10-26)19-35-30(39)29(23-5-7-24(8-6-23)31(32,33)34)37-17-15-36(16-18-37)20-25(38)21-42-28-13-11-27(41-2)12-14-28/h3-14,25,29,38H,15-21H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	359	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane				Bioorg Med Chem Lett 14: 2025-30 (2004) Article DOI: 10.1016/j.bmcl.2004.02.078 BindingDB Entry DOI: 10.7270/Q22J6B8R
					More data for this Ligand-Target Pair