Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50035200   

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 (Rattus norvegicus (rat))	BDBM50097917 ((3R,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097918 ((3R,6R)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:11:6:9:3.2,THB:1:2:9:7.5.6,10:9:3.2:7.5.6| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					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	89	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097919 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366775 (BENZTROPINE | Benzatropine) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097916 ((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097921 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097920 (3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3....) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:9:7:25:2.3| Show InChI InChI=1S/C20H20F2O2/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20H,9-12H2/t17-,18+,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50097923 (3-Benzhydryloxy-8-oxa-bicyclo[3.2.1]octane | CHEMB...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1)O2 |TLB:9:7:23:2.3| Show InChI InChI=1S/C20H22O2/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-19-13-17-11-12-18(14-19)21-17/h1-10,17-20H,11-14H2/t17-,18+,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50097917 ((3R,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50097918 ((3R,6R)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:11:6:9:3.2,THB:1:2:9:7.5.6,10:9:3.2:7.5.6| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50097916 ((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50097921 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50097919 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen				Bioorg Med Chem Lett 11: 823-7 (2001) BindingDB Entry DOI: 10.7270/Q2PN965H
					More data for this Ligand-Target Pair