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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 = 'BDBM273033'   
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))
BDBM273033
PNG
(2-{(R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-2-yl...)
Show SMILES Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(nc([nH]c3=O)C3(CC3)C(F)(F)F)s2)c1
Show InChI InChI=1S/C22H21F3N4O2S/c1-12-4-2-5-13(10-12)11-15(30)29-9-3-6-14(29)18-26-16-17(31)27-20(28-19(16)32-18)21(7-8-21)22(23,24)25/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,27,28,31)/t14-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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