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BDBM348657 N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine::US9790230, Example 19

SMILES: FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1

InChI Key: InChIKey=NDTAGOCAPXVPNO-OFQRWUPVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 348657   
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))
BDBM348657
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1 |r|
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 64.1n/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))
BDBM348657
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1 |r|
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/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