BDBM50080571 CHEMBL123830::N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide

SMILES: Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=AWHFBFFVXKIBQI-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50080571   

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 (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding at Dopamine transporter (DAT) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	351	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to serotonin transporter (SERT) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	844	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to norepinephrine transporter (NET) expressed in HEK cells				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in HEK cells expressing serotonin transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake in HEK cells expressing dopamine transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50080571 (CHEMBL123830 | N-(2-{2-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]- NE uptake in HEK cells expressing norepinephrine transporter				J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ
					More data for this Ligand-Target Pair