BDBM50080566 CHEMBL123252::N-(2-Benzhydryloxy-ethyl)-N,N'-dimethyl-N'-(3-phenyl-propyl)-propane-1,3-diamine

SMILES: CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1

InChI Key: InChIKey=WGJCAKQLYZFCSH-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 = 50080566   

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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	122	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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	438	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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	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	143	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))	BDBM50080566 (CHEMBL123252 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...) Show SMILES CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	237	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