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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial' and Ligand = 'BDBM107721'   
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))
BDBM107721
PNG
(US8933095, 3)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.5n/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)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107721
PNG
(US8933095, 3)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.5n/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)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair