BDBM50116264 (S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)-3-methyl-pentanoylamino]-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carbonyl}-amino)-4-oxo-4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-butyric acid::CHEMBL71654

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](CC(O)=O)C(=O)c1nnc(o1)-c1ccccc1

InChI Key InChIKey=UCXMBOHIKJZNMQ-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50116264   

TargetGranzyme B(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116264((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Affinity DataKi:  7nMAssay Description:Inhibition against human granzyme BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116264((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Affinity DataKi:  26nMAssay Description:Compound was tested for its inhibition against Caspase-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed