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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 (TAAR1)' and Ligand = 'BDBM119204'   
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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119204
PNG
(US8673950, 72)
Show SMILES Cc1cc(CC[C@H]2COC(N)=N2)ccc1Nc1ncc(Cl)cn1
Show InChI InChI=1S/C16H18ClN5O/c1-10-6-11(2-4-13-9-23-15(18)21-13)3-5-14(10)22-16-19-7-12(17)8-20-16/h3,5-8,13H,2,4,9H2,1H3,(H2,18,21)(H,19,20,22)/t13-/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.700n/an/an/an/an/an/an/an/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119204
PNG
(US8673950, 72)
Show SMILES Cc1cc(CC[C@H]2COC(N)=N2)ccc1Nc1ncc(Cl)cn1
Show InChI InChI=1S/C16H18ClN5O/c1-10-6-11(2-4-13-9-23-15(18)21-13)3-5-14(10)22-16-19-7-12(17)8-20-16/h3,5-8,13H,2,4,9H2,1H3,(H2,18,21)(H,19,20,22)/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.90n/an/an/an/an/an/an/an/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair