BDBM50143945 4-Chloro-N-{1-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperidin-4-yl}-N-phenyl-benzamide::CHEMBL64018

SMILES: COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1

InChI Key: InChIKey=PAKSATPZWZRHMC-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 = 50143945   

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))	BDBM50143945 (4-Chloro-N-{1-[2-hydroxy-3-(4-methoxy-phenoxy)-pro...) Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H31ClN2O4/c1-34-26-11-13-27(14-12-26)35-20-25(32)19-30-17-15-24(16-18-30)31(23-5-3-2-4-6-23)28(33)21-7-9-22(29)10-8-21/h2-14,24-25,32H,15-20H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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)	BDBM50143945 (4-Chloro-N-{1-[2-hydroxy-3-(4-methoxy-phenoxy)-pro...) Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H31ClN2O4/c1-34-26-11-13-27(14-12-26)35-20-25(32)19-30-17-15-24(16-18-30)31(23-5-3-2-4-6-23)28(33)21-7-9-22(29)10-8-21/h2-14,24-25,32H,15-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	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