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PubMed code 9599245

Compile data set for download or QSAR
Found 23 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))
BDBM50082395
PNG
((3S,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50082395
PNG
((3S,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147851
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147851
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86699
PNG
(4-ARA-127)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
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
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n/an/a 24.8n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
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
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n/an/a 35n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454928
PNG
(CHEMBL2115481)
Show SMILES [H][C@@]1(CCN(C)C[C@H]1COC(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454929
PNG
(CHEMBL2115080)
Show SMILES [H][C@@]1(CCN(C)C[C@@H]1CO)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454928
PNG
(CHEMBL2115481)
Show SMILES [H][C@@]1(CCN(C)C[C@H]1COC(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454929
PNG
(CHEMBL2115080)
Show SMILES [H][C@@]1(CCN(C)C[C@@H]1CO)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86699
PNG
(4-ARA-127)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
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
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n/an/a 85.2n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
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 102n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50178672
PNG
((3R,4R)-methyl 4-(4-chlorophenyl)-1-methylpiperidi...)
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-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
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
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n/an/a 197n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
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 239n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064495
PNG
(CHEMBL291652 | [(R)-4-(4-Chloro-phenyl)-1-methyl-p...)
Show SMILES CN1CC[C@H](C(CO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11?,13-/m0/s1
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n/an/a 442n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147844
PNG
(Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...)
Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
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n/an/a 461n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50178672
PNG
((3R,4R)-methyl 4-(4-chlorophenyl)-1-methylpiperidi...)
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-/m0/s1
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n/an/a 653n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064498
PNG
((S)-1-Methyl-4-phenyl-piperidine-3-carboxylic acid...)
Show SMILES COC(=O)C1CN(C)CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m1/s1
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n/an/a 769n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064500
PNG
(Acetic acid (R)-4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CC[C@H](C(COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13?,15-/m0/s1
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n/an/a 928n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
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+/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50064500
PNG
(Acetic acid (R)-4-(4-chloro-phenyl)-1-methyl-piper...)
Show SMILES CN1CC[C@H](C(COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13?,15-/m0/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
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+/m0/s1
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n/an/a 5.09E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)


J Med Chem 41: 1962-9 (1998)


Article DOI: 10.1021/jm980028+
BindingDB Entry DOI: 10.7270/Q2QC0468
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%