BDBM50030314 CHEMBL3343825

SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O

InChI Key InChIKey=BXVKBNPNUFOKOS-UHFFFAOYSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50030314   

TargetSalicylate synthetase, Irp9(Yersinia enterocolitica)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50030314(CHEMBL3343825)
Affinity DataKi:  800nMAssay Description:Competitive inhibition of Yersinia enterocolitica Irp9 using chorismate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional chorismate mutase/prephenate dehydratase(Escherichia coli (strain K12))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50030314(CHEMBL3343825)
Affinity DataKi:  4.00E+4nMAssay Description:Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional chorismate mutase/prephenate dehydratase(Escherichia coli (strain K12))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50030314(CHEMBL3343825)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSalicylate synthetase, Irp9(Yersinia enterocolitica)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50030314(CHEMBL3343825)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSalicylate synthetase, Irp9(Yersinia enterocolitica)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50030314(CHEMBL3343825)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as pyruvate production after 10 mins by microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed