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BDBM129558 US8802673, 200

SMILES: FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1

InChI Key: InChIKey=JHEOKTVWUCMBJX-LBPRGKRZSA-N

Data: 2 KI

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 = 129558   
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 (TAAR1)


(Mus musculus (Mouse))
BDBM129558
PNG
(US8802673, 200)
Show SMILES FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
Show InChI InChI=1S/C15H15F3N4O/c16-15(17,18)14-20-6-5-13(22-14)21-11-3-1-10(2-4-11)12-9-19-7-8-23-12/h1-6,12,19H,7-9H2,(H,20,21,22)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
8.90 -11.4n/an/an/an/an/a7.437



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 ina...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129558
PNG
(US8802673, 200)
Show SMILES FC(F)(F)c1nccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
Show InChI InChI=1S/C15H15F3N4O/c16-15(17,18)14-20-6-5-13(22-14)21-11-3-1-10(2-4-11)12-9-19-7-8-23-12/h1-6,12,19H,7-9H2,(H,20,21,22)/t12-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
58.8 -10.3n/an/an/an/an/a7.437



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 i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair