BDBM50143951 1-Allyloxy-3-{4-[(4-chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-propan-2-ol::CHEMBL59639

SMILES: OC(COCC=C)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=WPDCPSIIDKVKBZ-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 = 50143951   

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))	BDBM50143951 (1-Allyloxy-3-{4-[(4-chloro-phenyl)-phenyl-methyl]-...) Show SMILES OC(COCC=C)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2O2/c1-2-16-28-18-22(27)17-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h2-11,22-23,27H,1,12-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	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)	BDBM50143951 (1-Allyloxy-3-{4-[(4-chloro-phenyl)-phenyl-methyl]-...) Show SMILES OC(COCC=C)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2O2/c1-2-16-28-18-22(27)17-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h2-11,22-23,27H,1,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	401	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