Compile Data Set for Download or QSAR

Found 292 hits with Last Name = 'blundell' and Initial = 'p'   

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))	BDBM50102589 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8| Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10?,13+,14?,15?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50063324 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7| Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50063324 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7| Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50090975 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:2:4:21:6.7,THB:11:10:21:6.7| Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16?,17?,18?,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50063324 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7| Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50046734 (3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102564 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8| Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102577 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:22:21:5.12.11:7.9,13:12:21:7.9,THB:8:7:21:5.12.11,3:5:21:7.9| Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102577 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:22:21:5.12.11:7.9,13:12:21:7.9,THB:8:7:21:5.12.11,3:5:21:7.9| Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50076050 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8| Show InChI InChI=1S/C16H17Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10,14H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102565 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8| Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102565 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8| Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50046734 (3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50076050 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8| Show InChI InChI=1S/C16H17Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10,14H,4,6,8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50076050 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8| Show InChI InChI=1S/C16H17Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10,14H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50058293 (3-(4-Fluoro-phenyl)-8-(3-phenyl-propyl)-8-aza-bicy...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C24H28FNO2/c1-28-24(27)23-21(18-9-11-19(25)12-10-18)16-20-13-14-22(23)26(20)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-23H,5,8,13-16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen				J Med Chem 40: 1835-44 (1997) Article DOI: 10.1021/jm960868t BindingDB Entry DOI: 10.7270/Q2125RSX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50131653 ((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50063324 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7| Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.47	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.47	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putam...				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50035730 (3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to the serotonin transporter (5-HT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102578 (7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...) Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:4.11.10:6.8,12:11:22:6.8,THB:7:6:22:4.11.10,2:4:22:6.8| Show InChI InChI=1S/C20H23NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17-,18?,19?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102578 (7-Hydroxy-8-methyl-3-naphthalen-2-yl-8-aza-bicyclo...) Show SMILES COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:4.11.10:6.8,12:11:22:6.8,THB:7:6:22:4.11.10,2:4:22:6.8| Show InChI InChI=1S/C20H23NO3/c1-21-15-10-16(18(20(23)24-2)19(21)17(22)11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15?,16?,17-,18?,19?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50058286 ((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50058286 ((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50058286 ((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50090971 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8| Show InChI InChI=1S/C20H21NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,18H,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.				J Med Chem 43: 2982-91 (2000) BindingDB Entry DOI: 10.7270/Q2CZ37VX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50090971 (8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8| Show InChI InChI=1S/C20H21NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,18H,9-10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.94	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50131653 ((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50131653 ((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102564 (3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...) Show SMILES COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8| Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.04	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen				J Med Chem 44: 2619-35 (2001) BindingDB Entry DOI: 10.7270/Q2K35VC3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50059480 (3-(3,4-Dichloro-phenyl)-8-oxa-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2 |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50059480 (3-(3,4-Dichloro-phenyl)-8-oxa-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2 |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen				Bioorg Med Chem Lett 9: 857-62 (1999) BindingDB Entry DOI: 10.7270/Q26D5TGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50059480 (3-(3,4-Dichloro-phenyl)-8-oxa-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2 |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.				J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Macaca fascicularis)	BDBM50058287 (3-(4-Fluoro-phenyl)-8-(5-phenyl-pentyl)-8-aza-bicy...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C26H32FNO2/c1-30-26(29)25-23(20-11-13-21(27)14-12-20)18-22-15-16-24(25)28(22)17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-25H,3,6-7,10,15-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen				J Med Chem 40: 1835-44 (1997) Article DOI: 10.1021/jm960868t BindingDB Entry DOI: 10.7270/Q2125RSX
					More data for this Ligand-Target Pair

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