BDBM50324950 (R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethylamino)-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221811

SMILES CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=MBDJAEAEBLABLR-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50324950   

TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50324950((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...)
Affinity DataIC50: 12nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCaspase-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50324950((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed