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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1 (TAAR1)' and Ligand = 'BDBM50022721'   
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
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
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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KEGG
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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
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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KEGG
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PC sid
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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
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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CHEMBL
KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/an/an/a 4.96E+3n/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)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
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
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 1.40E+3n/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)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair