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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 = 'BDBM50181798'   
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


(Rattus norvegicus (Rat))
BDBM50181798
PNG
(CHEMBL202335 | N-methyl-O-(p-trifluoromethyl)benzy...)
Show SMILES CNCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3NO/c1-21-11-10-13-4-8-16(9-5-13)22-12-14-2-6-15(7-3-14)17(18,19)20/h2-9,21H,10-12H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 61n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181798
PNG
(CHEMBL202335 | N-methyl-O-(p-trifluoromethyl)benzy...)
Show SMILES CNCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3NO/c1-21-11-10-13-4-8-16(9-5-13)22-12-14-2-6-15(7-3-14)17(18,19)20/h2-9,21H,10-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair