Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50035002
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

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 DataKi:  280nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

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 DataKi:  320nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50366600(CHEMBL301281)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
Affinity DataKi:  540nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50366600(CHEMBL301281)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078779((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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:  3.10E+3nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078779((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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:  4.20E+3nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078782((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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:  4.70E+3nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078782((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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:  6.00E+3nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078779((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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:  8.50E+3nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078779((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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:  9.40E+3nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50005560(3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
Affinity DataKi:  1.04E+4nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50005560(3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...)
Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2
Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1
Affinity DataKi:  1.38E+4nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078778((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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-/m1/s1
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078782((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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:  2.94E+4nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078778((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@@H]1C2CCC(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-/m1/s1
Affinity DataKi:  3.40E+4nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078781((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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+/m1/s1
Affinity DataKi:  3.50E+4nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078781((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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+/m1/s1
Affinity DataKi:  3.80E+4nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50078782((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...)
Show SMILES COC(=O)[C@H]1C2CCC(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:  4.77E+4nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair