BDBM50370962 CHEMBL223867

SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC

InChI Key InChIKey=DNEZZJCGSKXMTP-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 Kd

  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 = 50370962   

TargetShikimate kinase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50370962(CHEMBL223867)
Affinity DataKi:  7.18E+3nMAssay Description:Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double couple...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetShikimate kinase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50370962(CHEMBL223867)
Affinity DataKi:  9.48E+3nMAssay Description:Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetShikimate kinase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50370962(CHEMBL223867)
Affinity DataKi:  1.07E+4nMAssay Description:Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presesnce of varying shikimate levels by double c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetShikimate kinase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50370962(CHEMBL223867)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetShikimate kinase(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50370962(CHEMBL223867)
Affinity DataKd:  4.39E+3nMAssay Description:Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed