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Compile Data Set for Download or QSAR

Found 85 hits of ec50 data for polymerid = 2252,50001848   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50276189
PNG
(1-(2-Naphthyl)-2-aminopropane | CHEMBL471839)
Show SMILES CC(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C13H15N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8,14H2,1H3
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n/an/an/an/a 11n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50029103
PNG
(2-(3-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL14...)
Show SMILES CC(N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
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n/an/an/an/a 12n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50276189
PNG
(1-(2-Naphthyl)-2-aminopropane | CHEMBL471839)
Show SMILES CC(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C13H15N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8,14H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 37n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330965
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen...)
Show SMILES CC(C)C(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O7/c1-9(2)19(24)26-17-7-11(20)6-16-18(17)14(23)8-15(25-16)10-3-4-12(21)13(22)5-10/h3-9,20-22H,1-2H3
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n/an/an/an/a 46n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50023178
PNG
(CHEMBL3298873)
Show SMILES Cl.CNC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,12H,1-2H3;1H
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RTI International

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025221
PNG
(CHEMBL1906905)
Show SMILES CC(N)Cc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C11H13ClN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 54n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025212
PNG
(CHEMBL3330646)
Show SMILES CC[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3/t10-/m1/s1
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n/an/an/an/a 58n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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n/an/an/an/a 75n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 78n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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n/an/an/an/a 79n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 82n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025216
PNG
(CHEMBL382635)
Show SMILES NCCc1c[nH]c2cccc(F)c12
Show InChI InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 106n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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n/an/an/an/a 112n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50028124
PNG
(2-(6-Methoxy-1H-indol-3-yl)-ethylamine | 2-(6-meth...)
Show SMILES COc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50114073
PNG
(CHEMBL3604010)
Show SMILES CNC(C)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3
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n/an/an/an/a 133n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025213
PNG
(CHEMBL3330648)
Show SMILES CCC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50023179
PNG
(CHEMBL3298874)
Show SMILES Cl.CCC(Cc1ccccc1)NC
Show InChI InChI=1S/C11H17N.ClH/c1-3-11(12-2)9-10-7-5-4-6-8-10;/h4-8,11-12H,3,9H2,1-2H3;1H
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RTI International

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025198
PNG
(ETRYPTAMINE | Etryptamine)
Show SMILES CCC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50114074
PNG
(CHEMBL3603955)
Show SMILES CN[C@@H](C)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3/t9-/m0/s1
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Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM30701
PNG
(2-(1H-indol-3-yl)-N-methyl-ethanamine | 2-(1H-indo...)
Show SMILES CNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
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n/an/an/an/a 321n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025217
PNG
(CHEMBL3330642)
Show SMILES Cc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-10-9(4-5-12)7-13-11(10)6-8/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 353n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50023180
PNG
(CHEMBL3298875)
Show SMILES CCC(NC)C(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3
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n/an/an/an/a 411n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 464n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50028124
PNG
(2-(6-Methoxy-1H-indol-3-yl)-ethylamine | 2-(6-meth...)
Show SMILES COc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 465n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 476n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 478n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50114071
PNG
(CHEMBL3604009)
Show SMILES CNC(C)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C12H15NO3/c1-8(13-2)12(14)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8,13H,5-6H2,1-2H3
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n/an/an/an/a 496n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025212
PNG
(CHEMBL3330646)
Show SMILES CC[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3/t10-/m1/s1
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n/an/an/an/a 592n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50114072
PNG
(CHEMBL3603954)
Show SMILES CNC(C)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3
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n/an/an/an/a 597n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025198
PNG
(ETRYPTAMINE | Etryptamine)
Show SMILES CCC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
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n/an/an/an/a 640n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025200
PNG
(CHEMBL3330645)
Show SMILES CC[C@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3/t10-/m0/s1
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n/an/an/an/a 654n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025219
PNG
(CHEMBL3330643)
Show SMILES NCCc1c[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C10H11ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 656n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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n/an/an/an/a 716n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM30701
PNG
(2-(1H-indol-3-yl)-N-methyl-ethanamine | 2-(1H-indo...)
Show SMILES CNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
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n/an/an/an/a 733n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330966
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen...)
Show SMILES CCCCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H18O7/c1-2-3-4-19(25)27-18-9-12(21)8-17-20(18)15(24)10-16(26-17)11-5-6-13(22)14(23)7-11/h5-10,21-23H,2-4H2,1H3
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n/an/an/an/a 869n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025216
PNG
(CHEMBL382635)
Show SMILES NCCc1c[nH]c2cccc(F)c12
Show InChI InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 1.12E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025219
PNG
(CHEMBL3330643)
Show SMILES NCCc1c[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C10H11ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 1.33E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330984
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES CC(C)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O7/c1-9(2)19(24)25-11-6-14(22)18-15(23)8-16(26-17(18)7-11)10-3-4-12(20)13(21)5-10/h3-9,20-22H,1-2H3
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n/an/an/an/a 1.38E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/an/an/a 1.45E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 1.58E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330983
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES CCCC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O7/c1-2-3-18(24)25-11-7-14(22)19-15(23)9-16(26-17(19)8-11)10-4-5-12(20)13(21)6-10/h4-9,20-22H,2-3H2,1H3
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n/an/an/an/a 1.69E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330982
PNG
(2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES CCC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H14O7/c1-2-17(23)24-10-6-13(21)18-14(22)8-15(25-16(18)7-10)9-3-4-11(19)12(20)5-9/h3-8,19-21H,2H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330964
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen...)
Show SMILES CCCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O7/c1-2-3-18(24)26-17-8-11(20)7-16-19(17)14(23)9-15(25-16)10-4-5-12(21)13(22)6-10/h4-9,20-22H,2-3H2,1H3
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n/an/an/an/a 1.82E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025220
PNG
(CHEMBL3330644)
Show SMILES COc1cccc2c(CCN)c[nH]c12
Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5-6,12H2,1H3
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n/an/an/an/a 2.12E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330972
PNG
(2-(3,4-Dihydroxyphenyl)-5-ethoxy-7-hydroxyl-4H-chr...)
Show SMILES CCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H14O6/c1-2-22-15-6-10(18)7-16-17(15)13(21)8-14(23-16)9-3-4-11(19)12(20)5-9/h3-8,18-20H,2H2,1H3
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n/an/an/an/a 2.21E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330975
PNG
(5-butoxy-2-(3,4-dihydroxyphenyl)-7-hydro-xy-4H-chr...)
Show SMILES CCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O6/c1-2-3-6-24-17-8-12(20)9-18-19(17)15(23)10-16(25-18)11-4-5-13(21)14(22)7-11/h4-5,7-10,20-22H,2-3,6H2,1H3
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n/an/an/an/a 2.40E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50330981
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(4-ph-enylbuto...)
Show SMILES Oc1cc(OCCCCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C25H22O6/c26-18-13-23(30-11-5-4-8-16-6-2-1-3-7-16)25-21(29)15-22(31-24(25)14-18)17-9-10-19(27)20(28)12-17/h1-3,6-7,9-10,12-15,26-28H,4-5,8,11H2
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n/an/an/an/a 2.59E+3n/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Agonist activity at rat DAT expressed in CHO cells


Bioorg Med Chem 18: 7842-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.049
BindingDB Entry DOI: 10.7270/Q20K28T9
More data for this
Ligand-Target Pair
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