BDBM50152575 2,4-Dioxo-4-o-tolyl-butyric acid::CHEMBL1829214::CHEMBL185898::Sacchettini_1

SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O

InChI Key InChIKey=AVVYWVLNDGDANA-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50152575   

TargetMalate synthase G [C619A](Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
D3R/Abbott

LigandPNGBDBM50152575(CHEMBL1829214 | CHEMBL185898 | 2,4-Dioxo-4-o-tolyl...)
Affinity DataIC50: 1.10E+3nMAssay Description:DNTB-Coupled_Enzyme_AssayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R
PDB3D3D Structure (crystal)
TargetDNA excision repair protein ERCC-5(Human)
Athersys

Curated by ChEMBL
LigandPNGBDBM50152575(CHEMBL1829214 | CHEMBL185898 | 2,4-Dioxo-4-o-tolyl...)
Affinity DataIC50: 5.45E+4nMAssay Description:Concentration required for 50% inhibition of Xeroderma pigmentosum GMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetFlap endonuclease 1(Human)
Athersys

Curated by ChEMBL
LigandPNGBDBM50152575(CHEMBL1829214 | CHEMBL185898 | 2,4-Dioxo-4-o-tolyl...)
Affinity DataIC50: 1.29E+4nMAssay Description:Concentration required for 50% inhibition of Flap endonuclease-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50152575(CHEMBL1829214 | CHEMBL185898 | 2,4-Dioxo-4-o-tolyl...)
Affinity DataEC50:  6.80E+3nMAssay Description:Plaque growth inhibitionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50152575(CHEMBL1829214 | CHEMBL185898 | 2,4-Dioxo-4-o-tolyl...)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity to PA N-terminal domain (Competitive)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed