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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM50096964'   
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


(Mus musculus (Mouse))
BDBM50096964
PNG
(CHEMBL3580901)
Show SMILES NCCOc1ccc(Cc2ccc(N)cc2)cc1
Show InChI InChI=1S/C15H18N2O/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8H,9-11,16-17H2
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse TAAR1


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FNF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50096964
PNG
(CHEMBL3580901)
Show SMILES NCCOc1ccc(Cc2ccc(N)cc2)cc1
Show InChI InChI=1S/C15H18N2O/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8H,9-11,16-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair