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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 or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50284735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-1


(Homo sapiens (human))
BDBM50284735
PNG
(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon


Bioorg Med Chem Lett 5: 1409-1414 (1995)

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50284735
PNG
(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/an/an/an/an/a 5.60E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon


Bioorg Med Chem Lett 5: 1409-1414 (1995)

More data for this
Ligand-Target Pair