BDBM50143971 CHEMBL59644::N-Benzyl-2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-(4-trifluoromethyl-phenyl)-acetamide
SMILES: COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(cc2)C(F)(F)F)cc1
InChI Key: InChIKey=NLKMCQPIQBBSLW-UHFFFAOYSA-N
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)) | BDBM50143971 (CHEMBL59644 | N-Benzyl-2-{4-[2-hydroxy-3-(4-methox...) | 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) | BDBM50143971 (CHEMBL59644 | N-Benzyl-2-{4-[2-hydroxy-3-(4-methox...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 429 | 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 |