Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50009524   

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 dopamine transporter (Homo sapiens (Human))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	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/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT Uptake in rat mid brain.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					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	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084722 ((4-Hydroxy-1-methyl-4-phenyl-piperidin-3-yl)-pheny...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084720 ((2,4-Dichloro-phenyl)-[4-(2,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,26H,6-7,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084715 (4-(3,4-Dichloro-phenyl)-3-[(3,4-dichloro-phenyl)-h...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H19Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,18,25-26H,6-7,10H2,1H3/t13?,18-,19?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084714 ((4-Fluoro-phenyl)-[4-(4-fluoro-phenyl)-4-hydroxy-1...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C19H19F2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084715 (4-(3,4-Dichloro-phenyl)-3-[(3,4-dichloro-phenyl)-h...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H19Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,18,25-26H,6-7,10H2,1H3/t13?,18-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084719 (4-(2,4-Dichloro-phenyl)-3-[(2,4-dichloro-phenyl)-h...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,18,25-26H,6-7,10H2,1H3/t15?,18-,19?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084722 ((4-Hydroxy-1-methyl-4-phenyl-piperidin-3-yl)-pheny...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084714 ((4-Fluoro-phenyl)-[4-(4-fluoro-phenyl)-4-hydroxy-1...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C19H19F2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084720 ((2,4-Dichloro-phenyl)-[4-(2,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,26H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084719 (4-(2,4-Dichloro-phenyl)-3-[(2,4-dichloro-phenyl)-h...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl4NO2/c1-24-7-6-19(26,14-5-3-12(21)9-17(14)23)15(10-24)18(25)13-4-2-11(20)8-16(13)22/h2-5,8-9,15,18,25-26H,6-7,10H2,1H3/t15?,18-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084724 (6-Methyl-4,8a-di-p-tolyl-hexahydro-[1,3]dioxino[5,...) Show SMILES CN1CCC2(OC(=O)OC(C2C1)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C22H25NO3/c1-15-4-8-17(9-5-15)20-19-14-23(3)13-12-22(19,26-21(24)25-20)18-10-6-16(2)7-11-18/h4-11,19-20H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084724 (6-Methyl-4,8a-di-p-tolyl-hexahydro-[1,3]dioxino[5,...) Show SMILES CN1CCC2(OC(=O)OC(C2C1)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C22H25NO3/c1-15-4-8-17(9-5-15)20-19-14-23(3)13-12-22(19,26-21(24)25-20)18-10-6-16(2)7-11-18/h4-11,19-20H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084723 (3-(Hydroxy-p-tolyl-methyl)-1-methyl-4-p-tolyl-pipe...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H27NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19-20,23-24H,12-14H2,1-3H3/t19?,20-,21?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084723 (3-(Hydroxy-p-tolyl-methyl)-1-methyl-4-p-tolyl-pipe...) Show SMILES CN1CCC(O)(C(C1)[C@@H](O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H27NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19-20,23-24H,12-14H2,1-3H3/t19?,20-,21?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 50 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	717	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 200 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 500 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair