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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 = 'BDBM348716'   
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))
BDBM348716
PNG
(4-Fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C18H23FN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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))
BDBM348716
PNG
(4-Fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C18H23FN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/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