BDBM50236202 CHEMBL4074171

SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=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=MMRKGTJWQNIZFW-VNINGPJYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50236202   

TargetLethal factor(Bacillus anthracis)
State University Of New York

Curated by ChEMBL
LigandPNGBDBM50236202(CHEMBL4074171)
Affinity DataKi:  18nMAssay 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 DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
State University Of New York

Curated by ChEMBL
LigandPNGBDBM50236202(CHEMBL4074171)
Affinity DataKi:  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 DepthDetails ArticlePubMed
TargetLethal factor(Bacillus anthracis)
State University Of New York

Curated by ChEMBL
LigandPNGBDBM50236202(CHEMBL4074171)
Affinity DataIC50:  43nMAssay 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 DepthDetails ArticlePubMed
TargetLethal factor(Bacillus anthracis)
State University Of New York

Curated by ChEMBL
LigandPNGBDBM50236202(CHEMBL4074171)
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 DepthDetails ArticlePubMed