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Articleid 50034244

Compile data set for download or QSAR
Found 62 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359501
PNG
(CHEMBL1927024 | HYDROXYAMPHETAMINE)
Show SMILES C[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359506
PNG
(CHEMBL102594)
Show SMILES COc1cc(C[C@H](C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3/t9-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 990n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins usi...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Serotonin transporters (SERT)


(Homo sapiens (human))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 1770n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human SERT cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359503
PNG
(CHEMBL1927026)
Show SMILES COc1cccc(C[C@H](C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 3300n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM85332
PNG
(MDMA, R(-))
Show SMILES CN[C@@H](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/t8-/m0/s1
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n/an/an/an/a 73700n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 1500n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359500
PNG
(CHEMBL1927030)
Show SMILES CN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 2500n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 4960n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 1700n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins usi...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM85332
PNG
(MDMA, R(-))
Show SMILES CN[C@@H](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/t8-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359501
PNG
(CHEMBL1927024 | HYDROXYAMPHETAMINE)
Show SMILES C[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1
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n/an/an/an/a 2960n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 3160n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359504
PNG
(CHEMBL1927027)
Show SMILES COc1cccc(C[C@@H](C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1
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n/an/an/an/a 6500n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50274042
PNG
((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
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PubMed
n/an/an/an/a 15340n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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n/an/an/an/a 31940n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 5300n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(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 1700n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359501
PNG
(CHEMBL1927024 | HYDROXYAMPHETAMINE)
Show SMILES C[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359500
PNG
(CHEMBL1927030)
Show SMILES CN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 2440n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Norepinephrine transporters (NET)


(Homo sapiens (human))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 7.1n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM86234
PNG
(CAS_64057-70-1 | MDMA,S(+) | NSC_126235)
Show SMILES CN[C@H](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/t8-/m1/s1
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n/an/an/an/a 7400n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359500
PNG
(CHEMBL1927030)
Show SMILES CN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 1190n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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n/an/an/an/a 22.4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 1300n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 1860n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM86238
PNG
(CAS_3050061 | MDA,S(+) | NSC_3050061)
Show SMILES C[C@H](N)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
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n/an/an/an/a 1350n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM86239
PNG
(CAS_3046161 | MDA,R(-) | NSC_3046161)
Show SMILES C[C@@H](N)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
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n/an/an/an/a 2480n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50274042
PNG
((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
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n/an/an/an/a 2140n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359498
PNG
(CHEMBL1927028)
Show SMILES CCc1cc(OC)c(C[C@H](C)N)cc1OC
Show InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3/t9-/m0/s1
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n/an/an/an/a 5020n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 890n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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n/an/an/an/a 1510n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins usi...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Homo sapiens (human))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 24.8n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359503
PNG
(CHEMBL1927026)
Show SMILES COc1cccc(C[C@H](C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 1900n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359501
PNG
(CHEMBL1927024 | HYDROXYAMPHETAMINE)
Show SMILES C[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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n/an/an/an/a 209n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359499
PNG
(METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 920n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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n/an/an/an/a 106n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins usi...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM85332
PNG
(MDMA, R(-))
Show SMILES CN[C@@H](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/t8-/m0/s1
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n/an/an/an/a 16100n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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n/an/an/an/a 13900n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 1010n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 1300n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM86238
PNG
(CAS_3050061 | MDA,S(+) | NSC_3050061)
Show SMILES C[C@H](N)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 6570n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM86239
PNG
(CAS_3046161 | MDA,R(-) | NSC_3046161)
Show SMILES C[C@@H](N)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
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PubMed
n/an/an/an/a 11730n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 1400n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 5650n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359501
PNG
(CHEMBL1927024 | HYDROXYAMPHETAMINE)
Show SMILES C[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1
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n/an/an/an/a 101n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 424n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359500
PNG
(CHEMBL1927030)
Show SMILES CN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 3300n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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PubMed
n/an/an/an/a 1200n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by...


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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n/an/an/an/a 65n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins


Bioorg Med Chem 19: 7044-8 (2011)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%