BDBM50143949 CHEMBL60843::N-Benzyl-2-{4-[3-(2,6-dimethyl-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-(4-trifluoromethyl-phenyl)-acetamide

SMILES: Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VFYCGVBGJYLYRZ-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 = 50143949   

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))	BDBM50143949 (CHEMBL60843 | N-Benzyl-2-{4-[3-(2,6-dimethyl-pheno...) Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H36F3N3O3/c1-22-7-6-8-23(2)29(22)40-21-27(38)20-36-15-17-37(18-16-36)28(25-11-13-26(14-12-25)31(32,33)34)30(39)35-19-24-9-4-3-5-10-24/h3-14,27-28,38H,15-21H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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)	BDBM50143949 (CHEMBL60843 | N-Benzyl-2-{4-[3-(2,6-dimethyl-pheno...) Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H36F3N3O3/c1-22-7-6-8-23(2)29(22)40-21-27(38)20-36-15-17-37(18-16-36)28(25-11-13-26(14-12-25)31(32,33)34)30(39)35-19-24-9-4-3-5-10-24/h3-14,27-28,38H,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	296	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