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SMILES: CN(CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F)CC(F)(F)F

InChI Key: InChIKey=USOOXZHFNPYZHH-OAHLLOKOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 273123   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM273123
PNG
((R)-N-benzyl-1-[6-{2-[N'-methyl-N'-(2,2,2-trifluor...)
Show SMILES CN(CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F)CC(F)(F)F |r|
Show InChI InChI=1S/C23H24F6N6O2S/c1-33(13-22(24,25)26)10-11-35-19(37)16-18(32-20(35)23(27,28)29)38-21(31-16)34-9-5-8-15(34)17(36)30-12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,30,36)/t15-/m1/s1
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US Patent
n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q23X88P5
More data for this
Ligand-Target Pair