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BDBM50386301 CHEMBL2047854

SMILES: CC1(N)Cc2ccccc2N(O)C1=O

InChI Key: InChIKey=GJRNHHASULSPSR-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386301   
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))
BDBM50386301
PNG
(CHEMBL2047854)
Show SMILES CC1(N)Cc2ccccc2N(O)C1=O
Show InChI InChI=1S/C10H12N2O2/c1-10(11)6-7-4-2-3-5-8(7)12(14)9(10)13/h2-5,14H,6,11H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386301
PNG
(CHEMBL2047854)
Show SMILES CC1(N)Cc2ccccc2N(O)C1=O
Show InChI InChI=1S/C10H12N2O2/c1-10(11)6-7-4-2-3-5-8(7)12(14)9(10)13/h2-5,14H,6,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair