BDBM50136674 (3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine::(3R)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine::(R)-duloxetine::CHEMBL336920::LY248685

SMILES: CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1

InChI Key: InChIKey=ZEUITGRIYCTCEM-QGZVFWFLSA-N

Data: 8 KI  4 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 12 hits for monomerid = 50136674   

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))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Neuropsychopharmacology 8: 23-33 (1993) Article DOI: 10.1038/npp.1993.4 BindingDB Entry DOI: 10.7270/Q2XS5SXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Neuropsychopharmacology 8: 23-33 (1993) Article DOI: 10.1038/npp.1993.4 BindingDB Entry DOI: 10.7270/Q2XS5SXF
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Neuropsychopharmacology 8: 23-33 (1993) Article DOI: 10.1038/npp.1993.4 BindingDB Entry DOI: 10.7270/Q2XS5SXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at human DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake at human NET expressed in HEK cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair