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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 = 'BDBM348683'   
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))
BDBM348683
PNG
(4-Chloro-3-ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicy...)
Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r|
Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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))
BDBM348683
PNG
(4-Chloro-3-ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicy...)
Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r|
Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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