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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 = 'BDBM167473'   
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


(Rattus norvegicus (Rat))
BDBM167473
PNG
(US9073911, 22)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-2-6-16(22)7-3-14)21(27)24-17-8-4-15(5-9-17)20-13-23-10-11-28-20/h2-9,12,20,23H,10-11,13H2,1H3,(H,24,27)/t20-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
2.20n/an/an/an/an/an/a7.4n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration ...


US Patent US9073911 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VPX
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM167473
PNG
(US9073911, 22)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-2-6-16(22)7-3-14)21(27)24-17-8-4-15(5-9-17)20-13-23-10-11-28-20/h2-9,12,20,23H,10-11,13H2,1H3,(H,24,27)/t20-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.30n/an/an/an/an/an/a7.4n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration ...


US Patent US9073911 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VPX
More data for this
Ligand-Target Pair