BDBM50143950 CHEMBL305591::N-Benzyl-2-{4-[3-(2,6-dimethyl-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-2-(4-fluoro-phenyl)-acetamide

SMILES: Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=LZLFVPXCZHSLNT-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 = 50143950   

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))	BDBM50143950 (CHEMBL305591 | N-Benzyl-2-{4-[3-(2,6-dimethyl-phen...) Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H36FN3O3/c1-22-7-6-8-23(2)29(22)37-21-27(35)20-33-15-17-34(18-16-33)28(25-11-13-26(31)14-12-25)30(36)32-19-24-9-4-3-5-10-24/h3-14,27-28,35H,15-21H2,1-2H3,(H,32,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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)	BDBM50143950 (CHEMBL305591 | N-Benzyl-2-{4-[3-(2,6-dimethyl-phen...) Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H36FN3O3/c1-22-7-6-8-23(2)29(22)37-21-27(35)20-33-15-17-34(18-16-33)28(25-11-13-26(31)14-12-25)30(36)32-19-24-9-4-3-5-10-24/h3-14,27-28,35H,15-21H2,1-2H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	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