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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kynurenine Aminotransferase 1/Glutamine Transaminase K' and Ligand = 'BDBM50324539'   
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 Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50324539
PNG
((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...)
Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale Amedeo Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MBP-KAT1 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr


J Med Chem 53: 5684-9 (2010)


Article DOI: 10.1021/jm100464k
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50324539
PNG
((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...)
Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale Amedeo Avogadro

Curated by ChEMBL


Assay Description
Inhibition of KAT1 in human prefrontal cortex homogenates


J Med Chem 53: 5684-9 (2010)


Article DOI: 10.1021/jm100464k
More data for this
Ligand-Target Pair