BDBM50116260 (R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(S)-methyl-pentanoylamino]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carbonyl}-amino)-3-oxo-propionic acid::CHEMBL304368

SMILES CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@H](C=O)C(O)=O

InChI Key InChIKey=MZDVCOYYTAHLOR-WUTPFUBCSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50116260   

TargetGranzyme B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116260((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Affinity DataKi:  8nMAssay Description:Inhibition against human granzyme BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116260((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Affinity DataKi:  71nMAssay Description:Compound was tested for its inhibition against Caspase-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116260((R)-2-({(2S,5S)-5-[(S)-2-(Acetyl-methyl-amino)-3-(...)
Affinity DataKi:  350nMAssay Description:Compound was tested for its inhibition against Caspase-8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed