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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 = 'BDBM348718'   
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))
BDBM348718
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1nccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1 |r|
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-16-21-6-5-14(24-16)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat in...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM348718
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1nccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1 |r|
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-16-21-6-5-14(24-16)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.08E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair