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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 = 'BDBM273017'   
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))
BDBM273017
PNG
((R)-2-(5-ethyl-6-methyl-7-oxo-6,7-dihydro[1,3]thia...)
Show SMILES CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C22H27N5O2S/c1-5-16-23-19-17(20(28)26(16)4)24-18(30-19)15-12-9-13-27(15)21(29)25-22(2,3)14-10-7-6-8-11-14/h6-8,10-11,15H,5,9,12-13H2,1-4H3,(H,25,29)/t15-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/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