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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial' and Ligand = 'BDBM50432200'   
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))
BDBM50432200
PNG
(CHEMBL2347109 | US8933095, 16)
Show SMILES N[C@H]1Cc2nn(cc2N(O)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
PDB
MMDB

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Article
PubMed
41n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50432200
PNG
(CHEMBL2347109 | US8933095, 16)
Show SMILES N[C@H]1Cc2nn(cc2N(O)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 85n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)

More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50432200
PNG
(CHEMBL2347109 | US8933095, 16)
Show SMILES N[C@H]1Cc2nn(cc2N(O)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair