BDBM50143946 CHEMBL64177::N-(2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-benzamide

SMILES: COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=DUVOINUOAIPORF-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 = 50143946   

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))	BDBM50143946 (CHEMBL64177 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...) Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O4/c1-35-26-12-14-27(15-13-26)36-22-25(33)21-31-16-18-32(19-17-31)28(23-8-4-2-5-9-23)20-30-29(34)24-10-6-3-7-11-24/h2-15,25,28,33H,16-22H2,1H3,(H,30,34)	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)	BDBM50143946 (CHEMBL64177 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...) Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O4/c1-35-26-12-14-27(15-13-26)36-22-25(33)21-31-16-18-32(19-17-31)28(23-8-4-2-5-9-23)20-30-29(34)24-10-6-3-7-11-24/h2-15,25,28,33H,16-22H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	745	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