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4 similar compounds to monomer 50284734

Wt: 400.3
BDBM50284735
Wt: 400.3
BDBM50284736
Wt: 400.3
BDBM50284737
Wt: 428.4
BDBM50284738

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50284735,50284736,50284737,50284738   
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


(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

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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))
BDBM50284737
PNG
(3-Allyloxycarbonylamino-5-(1-carbamoyl-naphthalen-...)
Show SMILES NC(=O)c1c(OCC(=O)C(CC(O)=O)NC(=O)OCC=C)ccc2ccccc12
Show InChI InChI=1S/C20H20N2O7/c1-2-9-28-20(27)22-14(10-17(24)25)15(23)11-29-16-8-7-12-5-3-4-6-13(12)18(16)19(21)26/h2-8,14H,1,9-11H2,(H2,21,26)(H,22,27)(H,24,25)
PDB
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Article
>1.80E+4n/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))
BDBM50284736
PNG
(3-Allyloxycarbonylamino-5-(2-carbamoyl-naphthalen-...)
Show SMILES NC(=O)c1ccc2ccccc2c1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C20H20N2O7/c1-2-9-28-20(27)22-15(10-17(24)25)16(23)11-29-18-13-6-4-3-5-12(13)7-8-14(18)19(21)26/h2-8,15H,1,9-11H2,(H2,21,26)(H,22,27)(H,24,25)
PDB
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Article
>2.20E+4n/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))
BDBM50284738
PNG
(3-Allyloxycarbonylamino-5-(3-dimethylcarbamoyl-nap...)
Show SMILES CN(C)C(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C22H24N2O7/c1-4-9-30-22(29)23-17(12-20(26)27)18(25)13-31-19-11-15-8-6-5-7-14(15)10-16(19)21(28)24(2)3/h4-8,10-11,17H,1,9,12-13H2,2-3H3,(H,23,29)(H,26,27)
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Article
>2.80E+4n/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
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KEGG

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UniChem

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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