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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 = 'BDBM330193'   
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))
BDBM330193
PNG
((RS)—N-[4-(5-Oxa-2-azabicyclo[2.2.2]octan-4-y...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(cc1)C12CCC(CO1)NC2
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-9-12(6-8-23-16)17(26)25-14-3-1-13(2-4-14)18-7-5-15(10-27-18)24-11-18/h1-4,6,8-9,15,24H,5,7,10-11H2,(H,25,26)
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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.7n/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 US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM330193
PNG
((RS)—N-[4-(5-Oxa-2-azabicyclo[2.2.2]octan-4-y...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(cc1)C12CCC(CO1)NC2
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-9-12(6-8-23-16)17(26)25-14-3-1-13(2-4-14)18-7-5-15(10-27-18)24-11-18/h1-4,6,8-9,15,24H,5,7,10-11H2,(H,25,26)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.44E+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 US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair