BDBM50143972 2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-N-(4-methoxy-benzyl)-2-(4-methoxy-phenyl)-acetamide::CHEMBL61501

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

InChI Key: InChIKey=IEVVYPISJHIIEY-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 = 50143972   

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))	BDBM50143972 (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(OC)cc2)cc1 Show InChI InChI=1S/C32H41N3O5/c1-23-6-5-7-24(2)31(23)40-22-27(36)21-34-16-18-35(19-17-34)30(26-10-14-29(39-4)15-11-26)32(37)33-20-25-8-12-28(38-3)13-9-25/h5-15,27,30,36H,16-22H2,1-4H3,(H,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+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)	BDBM50143972 (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(OC)cc2)cc1 Show InChI InChI=1S/C32H41N3O5/c1-23-6-5-7-24(2)31(23)40-22-27(36)21-34-16-18-35(19-17-34)30(26-10-14-29(39-4)15-11-26)32(37)33-20-25-8-12-28(38-3)13-9-25/h5-15,27,30,36H,16-22H2,1-4H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	571	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