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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 = 'BDBM273012'   
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))
BDBM273012
PNG
((R)-N-benzyl-2-(5-ethyl-6-methyl-7-oxo-6,7-dihydro...)
Show SMILES CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-3-15-22-18-16(19(26)24(15)2)23-17(28-18)14-10-7-11-25(14)20(27)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,21,27)/t14-/m1/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 250n/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