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BDBM129535 US8802673, 177

SMILES: C1CO[C@@H](CN1)c1ccc(Nc2ncc3ccccc3n2)cc1

InChI Key: InChIKey=CVJFJKFBKXBOGY-KRWDZBQOSA-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 = 129535   
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))
BDBM129535
PNG
(US8802673, 177)
Show SMILES C1CO[C@@H](CN1)c1ccc(Nc2ncc3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c1-2-4-16-14(3-1)11-20-18(22-16)21-15-7-5-13(6-8-15)17-12-19-9-10-23-17/h1-8,11,17,19H,9-10,12H2,(H,20,21,22)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.80 -12.1n/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))
BDBM129535
PNG
(US8802673, 177)
Show SMILES C1CO[C@@H](CN1)c1ccc(Nc2ncc3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c1-2-4-16-14(3-1)11-20-18(22-16)21-15-7-5-13(6-8-15)17-12-19-9-10-23-17/h1-8,11,17,19H,9-10,12H2,(H,20,21,22)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
29.9 -10.7n/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