BDBM50116806 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine::4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperazin-1-ium::CHEMBL433138::GB-12819

SMILES: Fc1ccc(cc1)C(OCCN1CCC(CCCc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=VMIZSAUBUHOYHI-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 = 50116806   

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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50116806 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCN1CCC(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2NO/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)33-22-21-32-19-17-24(18-20-32)8-4-7-23-5-2-1-3-6-23/h1-3,5-6,9-16,24,29H,4,7-8,17-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	595	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from dopamine transporter of rat caudate putamen tissue				Bioorg Med Chem Lett 12: 2387-90 (2002) BindingDB Entry DOI: 10.7270/Q2X067KS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50116806 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCN1CCC(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2NO/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)33-22-21-32-19-17-24(18-20-32)8-4-7-23-5-2-1-3-6-23/h1-3,5-6,9-16,24,29H,4,7-8,17-22H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli JM109				J Med Chem 49: 2417-30 (2006) Article DOI: 10.1021/jm0508538 BindingDB Entry DOI: 10.7270/Q2930TZX
					More data for this Ligand-Target Pair