BDBM50319822 1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)piperazine::CHEMBL1085959

SMILES: COc1ccccc1CC(N1CCNCC1)c1ccccc1F

InChI Key: InChIKey=CLUGYQSXBJPTPD-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50319822   

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 serotonin transporter (Homo sapiens (Human))	BDBM50319822 (1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50319822 (1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50319822 (1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50319822 (1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319822 (1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...) Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG				Bioorg Med Chem Lett 20: 3788-92 (2010) Article DOI: 10.1016/j.bmcl.2010.04.052 BindingDB Entry DOI: 10.7270/Q2SN09X4
					More data for this Ligand-Target Pair