BDBM50203364 CHEMBL248310::N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-carboxy-2-oxobutyl)-N-methylhexan-1-aminium 2,2,2-trifluoroacetate

SMILES CCCCCC[NH+](C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C

InChI Key InChIKey=UUEMWRIOZLIPHU-UHFFFAOYSA-O

Data  5 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 5 hits for monomerid = 50203364   

TargetCaspase-1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50203364(N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-buty...)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of human recombinant caspase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50203364(N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-buty...)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-7(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50203364(N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-buty...)
Affinity DataIC50: 64.7nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50203364(N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-buty...)
Affinity DataIC50: 164nMAssay Description:Inhibition of human recombinant caspase 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50203364(N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-buty...)
Affinity DataIC50: 6.07E+3nMAssay Description:Inhibition of human recombinant caspase 3 in NT2 by whole cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed