BDBM50191905 CHEMBL425277::N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl)isoquinoline-1-carboxamide

SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O

InChI Key InChIKey=ORXAJYCJPXWIQD-CJUKTHODSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50191905   

TargetCaspase-8(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191905(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of Caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191905(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)
Affinity DataIC50:  70nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191905(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed