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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM122393'   
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))
BDBM122393
PNG
(US8729113, 162)
Show SMILES NC1=N[C@@H](CCC(F)(F)c2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C12H13F3N2O/c13-9-3-1-8(2-4-9)12(14,15)6-5-10-7-18-11(16)17-10/h1-4,10H,5-7H2,(H2,16,17)/t10-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
2.20 -45.9n/an/an/an/an/an/a4



Hoffmann-La Roche Inc.

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair