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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 = 'BDBM330213'   
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))
BDBM330213
PNG
(N-[4-[(1R,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-yl...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@]12CN[C@@H](CO1)C2 |r|
Show InChI InChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-11(5-6-22-15)16(25)24-13-3-1-12(2-4-13)17-8-14(9-26-17)23-10-17/h1-7,14,23H,8-10H2,(H,24,25)/t14-,17-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 59.3n/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))
BDBM330213
PNG
(N-[4-[(1R,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-yl...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@]12CN[C@@H](CO1)C2 |r|
Show InChI InChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-11(5-6-22-15)16(25)24-13-3-1-12(2-4-13)17-8-14(9-26-17)23-10-17/h1-7,14,23H,8-10H2,(H,24,25)/t14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.91E+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