BDBM50284735 3-Allyloxycarbonylamino-5-(3-carbamoyl-naphthalen-2-yloxy)-4-oxo-pentanoic acid::CHEMBL31138

SMILES NC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C

InChI Key InChIKey=MXYVVRXIBMRWDP-UHFFFAOYSA-N

Data  1 KI  1 Kon

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 2 hits for monomerid = 50284735   

TargetCaspase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50284735(3-Allyloxycarbonylamino-5-(3-carbamoyl-naphthalen-...)
Show SMILES NC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C20H20N2O7/c1-2-7-28-20(27)22-15(10-18(24)25)16(23)11-29-17-9-13-6-4-3-5-12(13)8-14(17)19(21)26/h2-6,8-9,15H,1,7,10-11H2,(H2,21,26)(H,22,27)(H,24,25)
Affinity DataKi:  320nMAssay 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
LigandPNGBDBM50284735(3-Allyloxycarbonylamino-5-(3-carbamoyl-naphthalen-...)
Show SMILES NC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C20H20N2O7/c1-2-7-28-20(27)22-15(10-18(24)25)16(23)11-29-17-9-13-6-4-3-5-12(13)8-14(17)19(21)26/h2-6,8-9,15H,1,7,10-11H2,(H2,21,26)(H,22,27)(H,24,25)
Affinity DataKoff:  5.60E+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