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BDBM129471 US8802673, 113

SMILES: C1CO[C@H](CN1)c1ccc(Nc2cc(n[nH]2)-c2ccccc2)cc1

InChI Key: InChIKey=GDVHMMRWGWZVGE-GOSISDBHSA-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 = 129471   
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))
BDBM129471
PNG
(US8802673, 113)
Show SMILES C1CO[C@H](CN1)c1ccc(Nc2cc(n[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)17-12-19(23-22-17)21-16-8-6-15(7-9-16)18-13-20-10-11-24-18/h1-9,12,18,20H,10-11,13H2,(H2,21,22,23)/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10 -12.7n/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))
BDBM129471
PNG
(US8802673, 113)
Show SMILES C1CO[C@H](CN1)c1ccc(Nc2cc(n[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)17-12-19(23-22-17)21-16-8-6-15(7-9-16)18-13-20-10-11-24-18/h1-9,12,18,20H,10-11,13H2,(H2,21,22,23)/t18-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
87.7 -10.0n/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