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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 = 'BDBM273022'   
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))
BDBM273022
PNG
((R)-2-[6-methyl-7-oxo-5-(tetrahydro-2H-pyran-4-yl)...)
Show SMILES Cc1cccc(OC(=O)N2CCC[C@@H]2c2nc3c(nc(C4CCOCC4)n(C)c3=O)s2)c1
Show InChI InChI=1S/C23H26N4O4S/c1-14-5-3-6-16(13-14)31-23(29)27-10-4-7-17(27)20-24-18-21(32-20)25-19(26(2)22(18)28)15-8-11-30-12-9-15/h3,5-6,13,15,17H,4,7-12H2,1-2H3/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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