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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 = 'BDBM466258'   
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))
BDBM466258
PNG
(US10793582, Example 83)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(COC3CCOCC3)nc(C3CC3)c2s1
Show InChI InChI=1S/C26H31N5O3S/c32-25(27-15-17-5-2-1-3-6-17)20-7-4-12-31(20)26-30-24-23(35-26)22(18-8-9-18)28-21(29-24)16-34-19-10-13-33-14-11-19/h1-3,5-6,18-20H,4,7-16H2,(H,27,32)/t20-/m1/s1
PDB
MMDB

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US Patent
n/an/a 13n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

More data for this
Ligand-Target Pair