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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial' and Ligand = 'BDBM273117'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273117
PNG
((R)-N-benzyl-1-{6-methyl-7-oxo-5-[(propan-2-yl)ami...)
Show SMILES CC(C)Nc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H26N6O2S/c1-13(2)23-20-25-18-16(19(29)26(20)3)24-21(30-18)27-11-7-10-15(27)17(28)22-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,22,28)(H,23,25)/t15-/m1/s1
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US Patent
n/an/a 11n/an/an/an/a8.0n/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


BindingDB Entry DOI: 10.7270/Q23X88P5
More data for this
Ligand-Target Pair