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SMILES: FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@]23CN[C@@H](CO2)C3)n1

InChI Key: InChIKey=BYCRBNADMVBJPC-IUODEOHRSA-N

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 = 330212   
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))
BDBM330212
PNG
(N-[4-[(1R,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-yl...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@]23CN[C@@H](CO2)C3)n1 |r|
Show InChI InChI=1S/C16H15F3N4O/c17-16(18,19)14-20-6-5-13(23-14)22-11-3-1-10(2-4-11)15-7-12(8-24-15)21-9-15/h1-6,12,21H,7-9H2,(H,20,22,23)/t12-,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.41E+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
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM330212
PNG
(N-[4-[(1R,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-yl...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@]23CN[C@@H](CO2)C3)n1 |r|
Show InChI InChI=1S/C16H15F3N4O/c17-16(18,19)14-20-6-5-13(23-14)22-11-3-1-10(2-4-11)15-7-12(8-24-15)21-9-15/h1-6,12,21H,7-9H2,(H,20,22,23)/t12-,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39.3n/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