BDBM50143976 2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-(4-fluoro-phenyl)-N-(4-methoxy-benzyl)-acetamide::CHEMBL64114

SMILES: COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=HMLQTQMYJXPNPS-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 = 50143976   

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))	BDBM50143976 (2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...) Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C31H38FN3O4/c1-22-5-4-6-23(2)30(22)39-21-27(36)20-34-15-17-35(18-16-34)29(25-9-11-26(32)12-10-25)31(37)33-19-24-7-13-28(38-3)14-8-24/h4-14,27,29,36H,15-21H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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)	BDBM50143976 (2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...) Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C31H38FN3O4/c1-22-5-4-6-23(2)30(22)39-21-27(36)20-34-15-17-35(18-16-34)29(25-9-11-26(32)12-10-25)31(37)33-19-24-7-13-28(38-3)14-8-24/h4-14,27,29,36H,15-21H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	343	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