BDBM50143966 2-Chloro-N-[2-{4-[3-(4-fluoro-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-(4-trifluoromethyl-phenyl)-ethyl]-benzenesulfonamide::CHEMBL64823

SMILES: OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=DFSRXCJDESMUAU-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 = 50143966   

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))	BDBM50143966 (2-Chloro-N-[2-{4-[3-(4-fluoro-phenoxy)-2-hydroxy-p...) Show SMILES OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H30ClF4N3O4S/c29-25-3-1-2-4-27(25)41(38,39)34-17-26(20-5-7-21(8-6-20)28(31,32)33)36-15-13-35(14-16-36)18-23(37)19-40-24-11-9-22(30)10-12-24/h1-12,23,26,34,37H,13-19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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)	BDBM50143966 (2-Chloro-N-[2-{4-[3-(4-fluoro-phenoxy)-2-hydroxy-p...) Show SMILES OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H30ClF4N3O4S/c29-25-3-1-2-4-27(25)41(38,39)34-17-26(20-5-7-21(8-6-20)28(31,32)33)36-15-13-35(14-16-36)18-23(37)19-40-24-11-9-22(30)10-12-24/h1-12,23,26,34,37H,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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