BDBM50191909 CHEMBL214226::N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl)benzo[b]thiophene-2-carboxamide

SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O

InChI Key InChIKey=KXHIZTNAACKCQA-UHFFFAOYSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50191909   

TargetCaspase-1(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191909(N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-...)
Affinity DataIC50: 80nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetCaspase-8(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191909(N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-...)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of Caspase 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetCaspase-3(Human)
Procter and Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191909(N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed