Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 50037063   

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))	BDBM50118272 (5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [125I]- RTI-55 binding at the Dopamine transporter site on HEK cells expressing cDNA for the human transporter (hDAT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118265 (5-(4-Chloro-phenyl)-9-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)16-19-9-10-20(16)17(13,21)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118263 (5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6| Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118265 (5-(4-Chloro-phenyl)-9-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)16-19-9-10-20(16)17(13,21)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [125I]- RTI-55 binding at the Norepinephrine transporter site on HEK cells expressing cDNA for the human transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118263 (5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6| Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118269 (5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...) Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12 |c:12| Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118272 (5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	25.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118269 (5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...) Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12 |c:12| Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118262 (9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118272 (5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118262 (9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118260 (9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14| Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118262 (9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118260 (9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14| Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50055019 (5-Phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-o...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5| Show InChI InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118269 (5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]i...) Show SMILES Clc1ccc(cc1)C1N2CCN=C2c2ccccc12 |c:12| Show InChI InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)15-13-3-1-2-4-14(13)16-18-9-10-19(15)16/h1-8,15H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118260 (9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14| Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118265 (5-(4-Chloro-phenyl)-9-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)16-19-9-10-20(16)17(13,21)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118263 (5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6| Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055019 (5-Phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-o...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5| Show InChI InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50055019 (5-Phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-o...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5| Show InChI InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 radioligand binding to the Dopamine Transporter in guinea pig striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118263 (5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6| Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118260 (9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14| Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.94	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118266 (9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6| Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.21	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to block the uptake of 5-HT at the Dopamine transporter of HEK cells expressing cDNA for the human transporter (hDAT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118262 (9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15| Show InChI InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50055019 (5-Phenyl-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-o...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5| Show InChI InChI=1S/C16H14N2O/c19-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18(15)16/h1-9,19H,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118260 (9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...) Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14| Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair

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