Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50038776   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50275774 (CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50275774 (CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275830 (CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r| Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) 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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) 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-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275774 (CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275772 (CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50275771 (1S,2R-milnacipran | CHEMBL471001) Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275775 (CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275830 (CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r| Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275771 (1S,2R-milnacipran | CHEMBL471001) Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50032379 ((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...) Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1 Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275774 (CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275771 (1S,2R-milnacipran | CHEMBL471001) Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275775 (CHEMBL469947 | N-Allyl-N-cyclopropyl (1R,2R)-2-(Am...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50032379 ((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...) Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1 Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of radiolabeled noradrenaline uptake from rat brain NET				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275772 (CHEMBL471002 | N-Allyl-N-ethyl(1R,2R)-2-(Aminometh...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275771 (1S,2R-milnacipran | CHEMBL471001) Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) 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-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch-clamp method				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275771 (1S,2R-milnacipran | CHEMBL471001) Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275831 (2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r| Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50275774 (CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r| Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275830 (CHEMBL513248 | N,N-Dipropargyl (1R,2R)-2-(Aminomet...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r| Show InChI InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50275829 (CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...) Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r| Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r| Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair

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