BDBM50284739 3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-5-phenoxy-pentanoic acid::CHEMBL30626::CHEMBL3143889

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1

InChI Key InChIKey=GQSSECURHCUEBG-UHFFFAOYSA-N

Data  1 KI  1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50284739   

TargetCaspase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50284739(3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
Show InChI InChI=1S/C27H33N3O8/c1-17(2)24(30-27(36)38-15-19-10-6-4-7-11-19)26(35)28-18(3)25(34)29-21(14-23(32)33)22(31)16-37-20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,36)(H,32,33)
Affinity DataKi:  4.90E+3nMAssay 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
TargetCaspase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50284739(3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
Show InChI InChI=1S/C27H33N3O8/c1-17(2)24(30-27(36)38-15-19-10-6-4-7-11-19)26(35)28-18(3)25(34)29-21(14-23(32)33)22(31)16-37-20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,36)(H,32,33)
Affinity DataKoff:  1.10s-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