Compile Data Set for Download or QSAR
Found 14 Enz. Inhib. hit(s) with all data for entry = 50035200
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097917((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
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
Affinity DataIC50: 25nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097918((3R,6R)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...)
Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1
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
Affinity DataIC50: 32nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
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
Affinity DataIC50: 89nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097919((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
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
Affinity DataIC50: 95nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50366775(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
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+
Affinity DataIC50: 118nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097916((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...)
Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1
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
Affinity DataIC50: 650nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097921((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...)
Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1
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
Affinity DataIC50: 750nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097920(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)O2)c1ccc(F)cc1
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+
Affinity DataIC50: 2.00E+3nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097923(3-Benzhydryloxy-8-oxa-bicyclo[3.2.1]octane | CHEMB...)
Show SMILES C1C[C@@H]2C[C@@H](C[C@H]1O2)OC(c1ccccc1)c1ccccc1
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+
Affinity DataIC50: 1.00E+4nMAssay Description:Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097917((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
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
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097918((3R,6R)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...)
Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1
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
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097916((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...)
Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1
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
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097921((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...)
Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1
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
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamenMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50097919((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
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
Affinity DataIC50: 1.00E+5nMAssay Description:Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamenMore data for this Ligand-Target Pair