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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 = 'BDBM167482'   
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))
BDBM167482
PNG
(US9073911, 31)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19FN4O2/c21-15-3-7-17(8-4-15)25-11-9-18(24-25)20(26)23-16-5-1-14(2-6-16)19-13-22-10-12-27-19/h1-9,11,19,22H,10,12-13H2,(H,23,26)/t19-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
1.30n/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
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM167482
PNG
(US9073911, 31)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19FN4O2/c21-15-3-7-17(8-4-15)25-11-9-18(24-25)20(26)23-16-5-1-14(2-6-16)19-13-22-10-12-27-19/h1-9,11,19,22H,10,12-13H2,(H,23,26)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.40n/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