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Articleid 50034928

Compile data set for download or QSAR
Found 10 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))		BDBM50291689
PNG
(((R)-3-Chloro-phenyl)-piperidin-2-yl-acetic acid m...)
Show SMILES COC(=O)[C@@H](C1CCCCN1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12?,13-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50327164
PNG
((R)-methyl 2-((R)-piperidin-2-yl)-2-m-tolylacetate...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(C)c1 |r|
Show InChI InChI=1S/C15H21NO2/c1-11-6-5-7-12(10-11)14(15(17)18-2)13-8-3-4-9-16-13/h5-7,10,13-14,16H,3-4,8-9H2,1-2H3/t13-,14-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291687
PNG
(CHEMBL283772 | Piperidin-2-yl-((R)-p-tolyl)-acetic...)
Show SMILES COC(=O)[C@@H](C1CCCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13?,14-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50062915
PNG
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)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/t12-,13-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50327139
PNG
((R)-methyl 2-(4-hydroxyphenyl)-2-((R)-piperidin-2-...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3/t12-,13-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291690
PNG
((R)-((R)-1-Methyl-piperidin-2-yl)-m-tolyl-acetic a...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1C)c1cccc(C)c1
Show InChI InChI=1S/C16H23NO2/c1-12-7-6-8-13(11-12)15(16(18)19-3)14-9-4-5-10-17(14)2/h6-8,11,14-15H,4-5,9-10H2,1-3H3/t14-,15-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291692
PNG
((R)-((R)-1-Methyl-piperidin-2-yl)-p-tolyl-acetic a...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO2/c1-12-7-9-13(10-8-12)15(16(18)19-3)14-6-4-5-11-17(14)2/h7-10,14-15H,4-6,11H2,1-3H3/t14-,15-/m1/s1
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n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291686
PNG
((R)-(3-Chloro-phenyl)-((R)-1-methyl-piperidin-2-yl...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1C)c1cccc(Cl)c1
Show InChI InChI=1S/C15H20ClNO2/c1-17-9-4-3-8-13(17)14(15(18)19-2)11-6-5-7-12(16)10-11/h5-7,10,13-14H,3-4,8-9H2,1-2H3/t13-,14-/m1/s1
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n/an/a 161n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291693
PNG
((R)-((R)-1-Methyl-piperidin-2-yl)-phenyl-acetic ac...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3/t13-,14-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50291688
PNG
((R)-(4-Hydroxy-phenyl)-((R)-1-methyl-piperidin-2-y...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccc(O)cc1
Show InChI InChI=1S/C15H21NO3/c1-16-10-4-3-5-13(16)14(15(18)19-2)11-6-8-12(17)9-7-11/h6-9,13-14,17H,3-5,10H2,1-2H3/t13-,14-/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428

Bioorg Med Chem Lett 7: 1213-1218 (1997)


Article DOI: 10.1016/S0960-894X(97)00193-5
BindingDB Entry DOI: 10.7270/Q27S7P87
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%