BDBM50143947 4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-piperazin-1-yl]-2-phenyl-ethyl}-benzamide::CHEMBL60271

SMILES: OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=IVZIIWNEAMMPEW-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 = 50143947   

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))	BDBM50143947 (4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-pipe...) Show SMILES OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+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)	BDBM50143947 (4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-pipe...) Show SMILES OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	363	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