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PubMed code 9111298

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454883
PNG
(CHEMBL3085557)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50057425
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]oct-...)
Show SMILES CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
Show InChI InChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454884
PNG
(CHEMBL3084343)
Show SMILES [H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20-/m1/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50454883
PNG
(CHEMBL3085557)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50454884
PNG
(CHEMBL3084343)
Show SMILES [H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20-/m1/s1
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n/an/a 2.77E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50057424
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
Show InChI InChI=1S/C20H23NO/c1-21-17-12-13-19(21)20(22,16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-19,22H,12-14H2,1H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50454884
PNG
(CHEMBL3084343)
Show SMILES [H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19+,20-/m1/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50057425
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]oct-...)
Show SMILES CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
Show InChI InChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50454883
PNG
(CHEMBL3085557)
Show SMILES [H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50057424
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
Show InChI InChI=1S/C20H23NO/c1-21-17-12-13-19(21)20(22,16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-19,22H,12-14H2,1H3
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n/an/a 3.72E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50057425
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]oct-...)
Show SMILES CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
Show InChI InChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
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n/an/a 4.78E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50057424
PNG
((R)-8-Methyl-2,3-diphenyl-8-aza-bicyclo[3.2.1]octa...)
Show SMILES CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
Show InChI InChI=1S/C20H23NO/c1-21-17-12-13-19(21)20(22,16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-19,22H,12-14H2,1H3
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n/an/a>1.75E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand

J Med Chem 40: 1247-51 (1997)


Article DOI: 10.1021/jm960703k
BindingDB Entry DOI: 10.7270/Q24J0FRM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%