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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 = 'BDBM107720'   
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))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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PC cid
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Article
PubMed
32n/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))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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US Patent
n/an/a 63.7n/an/an/an/an/an/a



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 US8598200 (2013)

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


(Homo sapiens (Human))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/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 64n/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