BDBM50236204 CHEMBL4091315

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N3)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2

InChI Key InChIKey=VIVAOOXRWWNIBY-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 = 50236204   

TargetLethal factor(Bacillus anthracis)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50236204(CHEMBL4091315)
Affinity DataIC50: 250nMAssay Description:Inhibition of Bacillus anthracis lethal factor protease preincubated for 30 mins prior to addition of substrate containing fluorescent proteins CyPet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2019
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50236204(CHEMBL4091315)
Affinity DataIC50: 100nMAssay Description:Inhibition of Bacillus anthracis lethal factor protease preincubated for 30 mins prior to addition of substrate containing fluorescent proteins CyPet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2019
Entry Details Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50236204(CHEMBL4091315)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of recombinant human TACE extracellular domain (215 to 671 residues) assessed as inhibition of proteolytic activity preincubated for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2019
Entry Details Article
PubMed