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BDBM348689 N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide::US9790230, Example 51

SMILES: FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2

InChI Key: InChIKey=RHHFCEZIYQMAKN-BHYGNILZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 348689   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM348689
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r|
Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43.8n/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
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM348689
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r|
Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/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