BDBM50547486 CHEMBL4790418

SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1

InChI Key InChIKey=XIYISHSKDXWNPA-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50547486   

TargetHistone deacetylase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547486(CHEMBL4790418)
Affinity DataIC50: 1.34E+3nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetApoptosis regulator BAX(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547486(CHEMBL4790418)
Affinity DataEC50:  2.22E+3nMAssay Description:Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed