BDBM50080565 CHEMBL122452::N-(2-Benzhydryloxy-ethyl)-N,N'-dimethyl-N'-phenethyl-propane-1,3-diamine

SMILES: CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FFZXXMKWEGRDRF-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 = 50080565   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	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 dopamine transporter (Homo sapiens (Human))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	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))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	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 serotonin transporter (Homo sapiens (Human))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 noradrenaline transporter (Homo sapiens (Human))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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 dopamine transporter (Homo sapiens (Human))	BDBM50080565 (CHEMBL122452 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	349	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