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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM348670'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM348670
PNG
(4-(Cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-az...)
Show SMILES O=C(Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/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 US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM348670
PNG
(4-(Cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-az...)
Show SMILES O=C(Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 164n/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 US9790230 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T8R
More data for this
Ligand-Target Pair