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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 = 'BDBM348731'   
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))
BDBM348731
PNG
(3-Butyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]...)
Show SMILES CCCCC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-13(20)9-16(21)19(24)23-14-7-5-12(6-8-14)18-17-10-15(25-18)11-22-17/h5-9,15,17-18,20,22H,2-4,10-11,21H2,1H3,(H,23,24)/b16-9-,20-13?/t15-,17-,18+/m1/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))
BDBM348731
PNG
(3-Butyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]...)
Show SMILES CCCCC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r|
Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-13(20)9-16(21)19(24)23-14-7-5-12(6-8-14)18-17-10-15(25-18)11-22-17/h5-9,15,17-18,20,22H,2-4,10-11,21H2,1H3,(H,23,24)/b16-9-,20-13?/t15-,17-,18+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80.3n/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