BDBM50143961 CHEMBL62240::N-{1-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperidin-4-yl}-N-phenyl-benzamide

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

InChI Key: InChIKey=HHYUHLAZLCUWCM-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 = 50143961   

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))	BDBM50143961 (CHEMBL62240 | N-{1-[2-Hydroxy-3-(4-methoxy-phenoxy...) Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H32N2O4/c1-33-26-12-14-27(15-13-26)34-21-25(31)20-29-18-16-24(17-19-29)30(23-10-6-3-7-11-23)28(32)22-8-4-2-5-9-22/h2-15,24-25,31H,16-21H2,1H3	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)	BDBM50143961 (CHEMBL62240 | N-{1-[2-Hydroxy-3-(4-methoxy-phenoxy...) Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H32N2O4/c1-33-26-12-14-27(15-13-26)34-21-25(31)20-29-18-16-24(17-19-29)30(23-10-6-3-7-11-23)28(32)22-8-4-2-5-9-22/h2-15,24-25,31H,16-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	261	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