BDBM50454498 CHEMBL4215657

SMILES COc1ccc(NC(=O)c2ccc(CN3[C@H](Cc4ccccn4)C(=O)Nc4cc(Cl)ccc4C3=O)cc2)nc1

InChI Key InChIKey=PTVWVCRKRNXQCM-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50454498   

TargetToxin B(Peptoclostridium difficile)
Genesis Biotechnology Group

Curated by ChEMBL
LigandPNGBDBM50454498(CHEMBL4215657)
Affinity DataIC50: 43nMAssay Description:Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetToxin A(Peptoclostridium difficile)
Genesis Biotechnology Group

Curated by ChEMBL
LigandPNGBDBM50454498(CHEMBL4215657)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of Clostridium difficile toxin A transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetToxin B(Peptoclostridium difficile)
Genesis Biotechnology Group

Curated by ChEMBL
LigandPNGBDBM50454498(CHEMBL4215657)
Affinity DataIC50: 3nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed