Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with all data for entry = 5502
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86701(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50005536(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Affinity DataKi:  13nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM22165(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Affinity DataKi:  15nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50010196((R)-3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86701(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
Affinity DataKi:  22nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50005536(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Affinity DataKi:  31nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM22165(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Affinity DataKi:  31nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86702(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
Affinity DataKi:  45nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50062912(CHEMBL796 | Methylphenidate | alpha-phenyl-2-piper...)
Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
Affinity DataKi:  57nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50010196((R)-3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
Affinity DataKi:  74nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86702(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
Affinity DataKi:  83nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(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
Affinity DataKi:  127nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86207(CAS_50-36-2 | COCAINE | NSC_446220)
Show SMILES COC(=O)C1C2CCC(CC1OC(=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
Affinity DataKi:  128nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50062912(CHEMBL796 | Methylphenidate | alpha-phenyl-2-piper...)
Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
Affinity DataKi:  152nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(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
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50002294(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carb...)
Show SMILES CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3
Affinity DataKi:  180nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86697(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
Affinity DataKi:  541nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86207(CAS_50-36-2 | COCAINE | NSC_446220)
Show SMILES COC(=O)C1C2CCC(CC1OC(=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
Affinity DataKi:  555nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50002294(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carb...)
Show SMILES CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3
Affinity DataKi:  643nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86702(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
Affinity DataKi:  680nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86697(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
Affinity DataKi:  1.28E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86700(8-Oxa-norcocaine)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14?/m0/s1
Affinity DataKi:  1.56E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86699(4-ARA-127)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
Affinity DataKi:  1.63E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86699(4-ARA-127)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
Affinity DataKi:  3.30E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86700(8-Oxa-norcocaine)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2
Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14?/m0/s1
Affinity DataKi:  9.78E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50061887(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21F2NO2/c22-16-5-1-14(2-6-16)21(15-3-7-17(23)8-4-15)26-20-11-18-9-10-19(12-20)24(18)13-25/h1-8,13,18-21H,9-12H2
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM50061887(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21F2NO2/c22-16-5-1-14(2-6-16)21(15-3-7-17(23)8-4-15)26-20-11-18-9-10-19(12-20)24(18)13-25/h1-8,13,18-21H,9-12H2
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair