Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'bermejo' and Initial = 'a'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50298707 (1-Benzyl-6-chloro-7-hydroxy-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1cc2C(Cc3ccccc3)NCCc2cc1Cl Show InChI InChI=1S/C16H16ClNO/c17-14-9-12-6-7-18-15(13(12)10-16(14)19)8-11-4-2-1-3-5-11/h1-5,9-10,15,18-19H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting				Bioorg Med Chem 17: 4968-80 (2009) Article DOI: 10.1016/j.bmc.2009.05.079 BindingDB Entry DOI: 10.7270/Q26D5T2B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50298706 (1-Butyl-6-chloro-7-hydroxy-1,2,3,4-tetrahydroisoqu...) Show SMILES CCCCC1NCCc2cc(Cl)c(O)cc12 Show InChI InChI=1S/C13H18ClNO/c1-2-3-4-12-10-8-13(16)11(14)7-9(10)5-6-15-12/h7-8,12,15-16H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting				Bioorg Med Chem 17: 4968-80 (2009) Article DOI: 10.1016/j.bmc.2009.05.079 BindingDB Entry DOI: 10.7270/Q26D5T2B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50022051 (1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	504	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting				Bioorg Med Chem 17: 4968-80 (2009) Article DOI: 10.1016/j.bmc.2009.05.079 BindingDB Entry DOI: 10.7270/Q26D5T2B
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50291655 ((R)-3-{(2R,11R)-2,11-Dihydroxy-11-[(2S,5R,2'S,5'R)...) Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H](O)CC1=C[C@@H](C)OC1=O |t:37| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28-,29+,30-,31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart				Bioorg Med Chem Lett 7: 1113-1118 (1997) Article DOI: 10.1016/S0960-894X(97)00171-6 BindingDB Entry DOI: 10.7270/Q20P101B
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50291654 ((R)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2S,5R,2'S,5'R)...) Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30-,31+,32-,33-,34-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart				Bioorg Med Chem Lett 7: 1113-1118 (1997) Article DOI: 10.1016/S0960-894X(97)00171-6 BindingDB Entry DOI: 10.7270/Q20P101B
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50291656 ((R)-3-{(R)-13-Hydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-...) Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@@H](C)OC1=O |t:38| Show InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32-,33-,34-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart				Bioorg Med Chem Lett 7: 1113-1118 (1997) Article DOI: 10.1016/S0960-894X(97)00171-6 BindingDB Entry DOI: 10.7270/Q20P101B
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135518 ((R)-5-{(S)-11-Hydroxy-11-[(2S,5S)-5-((S)-1-hydroxy...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(=O)CCCCC[C@@H]1CC(CC(C)=O)C(=O)O1 Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3/t28?,30-,31+,32+,33+,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135523 ((S)-3-{(2R,13S)-2,13-Dihydroxy-13-[(2S,5S)-5-((S)-...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(=O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:36| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135528 ((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...) Show SMILES CCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)N=O)C(=O)O1 Show InChI InChI=1S/C34H63NO7/c1-3-4-5-6-7-8-9-10-14-20-30(37)32-22-23-33(42-32)31(38)21-16-15-18-28(36)17-12-11-13-19-29-25-27(34(39)41-29)24-26(2)35-40/h26-33,36-38H,3-25H2,1-2H3/t26?,27?,28-,29+,30-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt 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
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135520 ((S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:36| Show InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135522 ((S)-3-{(2R,13S)-2,13-Dihydroxy-8-[(Z)-hydroxyimino...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)N=O |t:35| Show InChI InChI=1S/C35H63NO7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(43-33)32(39)22-17-16-19-29(36-41)18-13-12-14-20-30(37)26-28-25-27(2)42-35(28)40/h25,27,29-34,37-39H,3-24,26H2,1-2H3/t27-,29?,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135519 ((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)=O)C(=O)O1 Show InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28?,29-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135526 ((S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1C[C@H](C)OC1=O Show InChI InChI=1S/C35H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h27-34,36-39H,3-26H2,1-2H3/t27-,28?,29-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135527 ((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135521 ((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)O)C(=O)O1 Show InChI InChI=1S/C35H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h27-34,36-39H,3-26H2,1-2H3/t27?,28?,29-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135524 ((S)-3,4-Dihydroxy-5-methyl-3-{(2R,8S,13S)-2,8,13-t...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1(O)C(O)[C@H](C)OC1=O Show InChI InChI=1S/C35H66O9/c1-3-4-5-6-7-8-9-10-11-15-21-29(38)31-23-24-32(44-31)30(39)22-17-16-19-27(36)18-13-12-14-20-28(37)25-35(42)33(40)26(2)43-34(35)41/h26-33,36-40,42H,3-25H2,1-2H3/t26-,27-,28+,29-,30-,31-,32-,33?,35?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50135525 ((S)-3-{(2R,13S)-8-[2-(3-Benzyloxy-4-methoxy-phenyl...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)NCCc1ccc(OC)c(OCc2ccccc2)c1 |t:35| Show InChI InChI=1S/C51H81NO8/c1-4-5-6-7-8-9-10-11-12-19-27-45(54)47-31-32-48(60-47)46(55)28-21-20-25-43(24-17-14-18-26-44(53)37-42-35-39(2)59-51(42)56)52-34-33-40-29-30-49(57-3)50(36-40)58-38-41-22-15-13-16-23-41/h13,15-16,22-23,29-30,35-36,39,43-48,52-55H,4-12,14,17-21,24-28,31-34,37-38H2,1-3H3/t39-,43?,44+,45-,46-,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>150	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50202322 ((-)-anonaine | (R)-6,7,7a,8-tetrahydro-5H-benzo[g]...) Show SMILES C1Oc2cc3CCN[C@@H]4Cc5ccccc5-c(c2O1)c34 |r| Show InChI InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292474 (7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylam...) Show SMILES OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292466 (CHEMBL450147 | CHEMBL507970 | Dimethylgrisabine) Show SMILES COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1 |r| Show InChI InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50202300 ((R)-4-methoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]...) Show SMILES COc1c2OCOc2c2-c3ccccc3C[C@H]3NCCc1c23 |r| Show InChI InChI=1S/C18H17NO3/c1-20-16-12-6-7-19-13-8-10-4-2-3-5-11(10)15(14(12)13)17-18(16)22-9-21-17/h2-5,13,19H,6-9H2,1H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089611 ((1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-1H-iso...) Show SMILES COc1cc2C(Cc3ccccc3)N(CCc2cc1OCc1ccccc1)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C30H38NO5P/c1-22(2)35-37(32,36-23(3)4)31-17-16-26-19-30(34-21-25-14-10-7-11-15-25)29(33-5)20-27(26)28(31)18-24-12-8-6-9-13-24/h6-15,19-20,22-23,28H,16-18,21H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292445 (CHEMBL508011 | Isopiline) Show SMILES COc1c(O)c2-c3ccccc3C[C@H]3NCCc(c1OC)c23 |r| Show InChI InChI=1S/C18H19NO3/c1-21-17-12-7-8-19-13-9-10-5-3-4-6-11(10)15(14(12)13)16(20)18(17)22-2/h3-6,13,19-20H,7-9H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089614 (1-Benzyl-6-benzyloxy-7-methoxy-2-methyl-1,2,3,4-te...) Show SMILES COc1cc2C(Cc3ccccc3)N(C)CCc2cc1OCc1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-26-14-13-21-16-25(28-18-20-11-7-4-8-12-20)24(27-2)17-22(21)23(26)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089613 (1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-isoquin...) Show SMILES COc1cc2C(Cc3ccccc3)=NCCc2cc1OCc1ccccc1 |c:13| Show InChI InChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292467 (Antioquine | Antioquine (S,R) | CHEMBL446564 | CHE...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(c4)-c4cc(C[C@H]5N(C)CCc6cc(OC)c(Oc(c1O)c23)cc56)ccc4O |r| Show InChI InChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089612 (1-Benzyl-6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-...) Show SMILES COc1cc2C(Cc3ccccc3)NCCc2cc1OCc1ccccc1 Show InChI InChI=1S/C24H25NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16,22,25H,12-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50241642 ((+)-Obaberine | CHEMBL451211 | CHEMBL464525 | Obab...) Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 |r| Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50068644 (Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-5,6-diethox...) Show SMILES CCO[C@@H]1CC(=O)O[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OCC)c1ccccc1 Show InChI InChI=1S/C21H28O8/c1-5-25-16-12-17(24)29-18(15-10-8-7-9-11-15)20(27-13(3)22)21(28-14(4)23)19(16)26-6-2/h7-11,16,18-21H,5-6,12H2,1-4H3/t16-,18-,19-,20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for NADH oxidase activity in bovine heart submitochondrial particles				J Med Chem 41: 5158-66 (1999) Article DOI: 10.1021/jm9706574 BindingDB Entry DOI: 10.7270/Q20P0Z4W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292468 (CHEMBL504757 | Isotetrandrine) Show SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 |r| Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50068645 ((4R,5S,6S,7S,8R)-4,5-Diethoxy-6,7-dihydroxy-8-phen...) Show SMILES CCO[C@@H]1CC(=O)O[C@@H]([C@@H](O)[C@H](O)[C@@H]1OCC)c1ccccc1 Show InChI InChI=1S/C17H24O6/c1-3-21-12-10-13(18)23-16(11-8-6-5-7-9-11)14(19)15(20)17(12)22-4-2/h5-9,12,14-17,19-20H,3-4,10H2,1-2H3/t12-,14+,15+,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for NADH oxidase activity in bovine heart submitochondrial particles				J Med Chem 41: 5158-66 (1999) Article DOI: 10.1021/jm9706574 BindingDB Entry DOI: 10.7270/Q20P0Z4W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50022723 ((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...) Show SMILES C[C@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292469 (CHEMBL443081 | CHEMBL501861 | O-methyldauricine) Show SMILES COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1 |r| Show InChI InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099787 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50202287 ((R)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'...) Show SMILES Oc1ccc-2c(C[C@H]3NCCc4cc5OCOc5c-2c34)c1 |r| Show InChI InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50241641 ((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...) Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 |r| Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292454 (CHEMBL508081 | secocularidine) Show SMILES COc1cc2Oc3c(O)ccc(CCN(C)C)c3C=Cc2cc1OC |c:19| Show InChI InChI=1S/C20H23NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h5-8,11-12,22H,9-10H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292463 ((1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahy...) Show SMILES COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |r| Show InChI InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099786 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292446 ((S)-1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[...) Show SMILES COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099786 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50292470 (CHEMBL447018 | Dimethylpseudoxandrine) Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(OC)c(c4)-c4cc(ccc4OC)C(=O)[C@H]4N(C)CCc5cc(OC)c(OC)c(Oc1cc23)c45 |r| Show InChI InChI=1S/C39H42N2O7/c1-40-14-12-23-19-32(45-5)33-21-26(23)29(40)17-22-8-10-30(43-3)27(16-22)28-18-25(9-11-31(28)44-4)37(42)36-35-24(13-15-41(36)2)20-34(46-6)38(47-7)39(35)48-33/h8-11,16,18-21,29,36H,12-15,17H2,1-7H3/t29-,36+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099788 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099788 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50202290 (2,3-dimethoxy-7,7-dimethyl-7H-dibenzo[de,g]quinoli...) Show SMILES COc1c(O)c2-c3ccc(O)cc3C(C)(C)c3nccc(c1OC)c23 Show InChI InChI=1S/C20H19NO4/c1-20(2)13-9-10(22)5-6-11(13)14-15-12(7-8-21-19(15)20)17(24-3)18(25-4)16(14)23/h5-9,22-23H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry				J Nat Prod 58: 1475-1484 (1995) Article DOI: 10.1021/np50124a001 BindingDB Entry DOI: 10.7270/Q2XK8FKW
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair

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