BDBM50080561 CHEMBL121460::N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N,N'-dimethyl-ethane-1,2-diamine

SMILES: CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=LDCWRCFCYHTIGC-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 = 50080561   

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))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	261	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))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	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 dopamine transporter (Homo sapiens (Human))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	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))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50080561 (CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...) Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	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