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SMILES: FC(F)(F)c1cnc(Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)nc1

InChI Key: InChIKey=SVOKUQUAWJLOJK-HOCLYGCPSA-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 = 330189   
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))
BDBM330189
PNG
(N-[4-[[(1S,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-y...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)nc1 |r|
Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)12-7-21-15(22-8-12)24-13-3-1-11(2-4-13)5-16-6-14(9-25-16)23-10-16/h1-4,7-8,14,23H,5-6,9-10H2,(H,21,22,24)/t14-,16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 881n/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))
BDBM330189
PNG
(N-[4-[[(1S,4S)-5-Oxa-2-azabicyclo[2.2.1]heptan-4-y...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(C[C@]34CN[C@H](CO3)C4)cc2)nc1 |r|
Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)12-7-21-15(22-8-12)24-13-3-1-11(2-4-13)5-16-6-14(9-25-16)23-10-16/h1-4,7-8,14,23H,5-6,9-10H2,(H,21,22,24)/t14-,16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+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