Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50035212   

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
Transporter (Rattus norvegicus)	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	31	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099305 ((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	69	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099309 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-phenyl...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	150	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	160	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transporter (Rattus norvegicus)	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	190	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	200	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	230	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	270	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099307 ((4-Fluoro-phenyl)-[(3S,4R)-4-(4-fluoro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17F2NO/c1-21-10-16(12-2-6-14(19)7-3-12)17(11-21)18(22)13-4-8-15(20)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099312 ((4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrro...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	430	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099312 ((4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrro...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	520	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099305 ((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	540	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099305 ((2-Chloro-phenyl)-[(3S,4R)-4-(4-chloro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C18H17Cl2NO/c1-21-10-15(12-6-8-13(19)9-7-12)16(11-21)18(22)14-4-2-3-5-17(14)20/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	610	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099309 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-phenyl...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	750	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099307 ((4-Fluoro-phenyl)-[(3S,4R)-4-(4-fluoro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17F2NO/c1-21-10-16(12-2-6-14(19)7-3-12)17(11-21)18(22)13-4-8-15(20)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	800	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 at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	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 at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099314 (CHEMBL13511 | [(3S,4R)-4-(4-Chloro-phenyl)-1-methy...) Show SMILES COc1ccc(cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClNO2/c1-21-11-17(13-3-7-15(20)8-4-13)18(12-21)19(22)14-5-9-16(23-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099312 ((4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrro...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099315 ((4-Chloro-phenyl)-[(3S,4R)-4-(2,4-dichloro-phenyl)...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16Cl3NO/c1-22-9-15(14-7-6-13(20)8-17(14)21)16(10-22)18(23)11-2-4-12(19)5-3-11/h2-8,15-16H,9-10H2,1H3/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099306 ((4-Chloro-phenyl)-[(3S,4R)-4-(2-fluoro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1F)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClFNO/c1-21-10-15(14-4-2-3-5-17(14)20)16(11-21)18(22)12-6-8-13(19)9-7-12/h2-9,15-16H,10-11H2,1H3/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099309 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-phenyl...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099316 ((2-Fluoro-phenyl)-((3S,4R)-1-methyl-4-p-tolyl-pyrr...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(C)cc1)C(=O)c1ccccc1F Show InChI InChI=1S/C19H20FNO/c1-13-7-9-14(10-8-13)16-11-21(2)12-17(16)19(22)15-5-3-4-6-18(15)20/h3-10,16-17H,11-12H2,1-2H3/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.93E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099311 (CHEMBL441219 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H17ClF3NO/c1-24-10-16(12-5-7-15(20)8-6-12)17(11-24)18(25)13-3-2-4-14(9-13)19(21,22)23/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	3.17E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099307 ((4-Fluoro-phenyl)-[(3S,4R)-4-(4-fluoro-phenyl)-1-m...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17F2NO/c1-21-10-16(12-2-6-14(19)7-3-12)17(11-21)18(22)13-4-8-15(20)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.96E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099317 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-pyridin-2-y...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C22H20N2O/c25-22(21-13-7-8-14-23-21)20-16-24(18-11-5-2-6-12-18)15-19(20)17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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]5-HT uptake at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099310 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-thiophen-2-...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C21H19NOS/c23-21(20-12-7-13-24-20)19-15-22(17-10-5-2-6-11-17)14-18(19)16-8-3-1-4-9-16/h1-13,18-19H,14-15H2/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+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]5-HT uptake at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099310 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-thiophen-2-...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C21H19NOS/c23-21(20-12-7-13-24-20)19-15-22(17-10-5-2-6-11-17)14-18(19)16-8-3-1-4-9-16/h1-13,18-19H,14-15H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+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]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099319 ((4-Fluoro-phenyl)-((3S,4R)-1-phenyl-4-p-tolyl-pyrr...) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C24H22FNO/c1-17-7-9-18(10-8-17)22-15-26(21-5-3-2-4-6-21)16-23(22)24(27)19-11-13-20(25)14-12-19/h2-14,22-23H,15-16H2,1H3/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099318 (CHEMBL13508 | [(3S,4R)-4-(4-Chloro-phenyl)-1-pheny...) Show SMILES COc1ccccc1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C24H22ClNO2/c1-28-23-10-6-5-9-20(23)24(27)22-16-26(19-7-3-2-4-8-19)15-21(22)17-11-13-18(25)14-12-17/h2-14,21-22H,15-16H2,1H3/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099308 (CHEMBL409360 | [(3S,4R)-4-(4-Chloro-phenyl)-1-phen...) Show SMILES Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H20ClNO/c24-19-13-11-17(12-14-19)21-15-25(20-9-5-2-6-10-20)16-22(21)23(26)18-7-3-1-4-8-18/h1-14,21-22H,15-16H2/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099317 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-pyridin-2-y...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C22H20N2O/c25-22(21-13-7-8-14-23-21)20-16-24(18-11-5-2-6-12-18)15-19(20)17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/t19-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099310 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-thiophen-2-...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C21H19NOS/c23-21(20-12-7-13-24-20)19-15-22(17-10-5-2-6-11-17)14-18(19)16-8-3-1-4-9-16/h1-13,18-19H,14-15H2/t18-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50099317 (((3S,4R)-1,4-Diphenyl-pyrrolidin-3-yl)-pyridin-2-y...) Show SMILES O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C22H20N2O/c25-22(21-13-7-8-14-23-21)20-16-24(18-11-5-2-6-12-18)15-19(20)17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+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]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 30 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 100 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	494	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 300 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	641	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 100 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	645	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.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099313 (((3S,4R)-1-Methyl-4-phenyl-pyrrolidin-3-yl)-pyridi...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1 Show InChI InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair