BDBM50236205 CHEMBL4064688

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

InChI Key InChIKey=UOLICGDBHYFWJG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50236205   

TargetLethal factor(Bacillus anthracis)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50236205(CHEMBL4064688)
Affinity DataIC50: 197nMAssay 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
LigandPNGBDBM50236205(CHEMBL4064688)
Affinity DataIC50: 175nMAssay 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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50236205(CHEMBL4064688)
Affinity DataIC50: 3.80nMAssay 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