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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 = 'BDBM273027'   
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273027
PNG
((R)-2-[5-(4,4-difluorocyclohexyl)-7-oxo-6,7-dihydr...)
Show SMILES FC1(F)CCC(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H22F2N4O3S/c23-22(24)10-8-13(9-11-22)17-26-18(29)16-20(27-17)32-19(25-16)15-7-4-12-28(15)21(30)31-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,26,27,29)/t15-/m1/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 84n/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)

More data for this
Ligand-Target Pair