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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 = 'BDBM330219'   
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))
BDBM330219
PNG
(N-[4-[[(1R,4R)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-y...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(C[C@@]34CN[C@@H](CO3)C4)cc2)nc1 |r|
Show InChI InChI=1S/C18H18F3N3O/c19-18(20,21)13-3-6-16(22-9-13)24-14-4-1-12(2-5-14)7-17-8-15(10-25-17)23-11-17/h1-6,9,15,23H,7-8,10-11H2,(H,22,24)/t15-,17-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10.7n/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))
BDBM330219
PNG
(N-[4-[[(1R,4R)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-y...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(C[C@@]34CN[C@@H](CO3)C4)cc2)nc1 |r|
Show InChI InChI=1S/C18H18F3N3O/c19-18(20,21)13-3-6-16(22-9-13)24-14-4-1-12(2-5-14)7-17-8-15(10-25-17)23-11-17/h1-6,9,15,23H,7-8,10-11H2,(H,22,24)/t15-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 141n/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