BDBM50284734 3-Allyloxycarbonylamino-4-oxo-5-(3-phenylcarbamoyl-naphthalen-2-yloxy)-pentanoic acid::CHEMBL281745

SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1

InChI Key InChIKey=GSFWGLMSLVQPIC-UHFFFAOYSA-N

Data  1 KI  1 Kon

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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 = 50284734   

TargetCaspase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50284734(3-Allyloxycarbonylamino-4-oxo-5-(3-phenylcarbamoyl...)
Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-2-12-34-26(33)28-21(15-24(30)31)22(29)16-35-23-14-18-9-7-6-8-17(18)13-20(23)25(32)27-19-10-4-3-5-11-19/h2-11,13-14,21H,1,12,15-16H2,(H,27,32)(H,28,33)(H,30,31)
Affinity DataKi:  500nMAssay Description:Binding affinity determined against ETA receptor in porcine aortic smooth muscle membraneMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCaspase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50284734(3-Allyloxycarbonylamino-4-oxo-5-(3-phenylcarbamoyl...)
Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-2-12-34-26(33)28-21(15-24(30)31)22(29)16-35-23-14-18-9-7-6-8-17(18)13-20(23)25(32)27-19-10-4-3-5-11-19/h2-11,13-14,21H,1,12,15-16H2,(H,27,32)(H,28,33)(H,30,31)
Affinity DataKoff:  4.10E+3s-1Assay Description:Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as KonMore data for this Ligand-Target Pair
In DepthDetails Article