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9 similar compounds to monomer 50284735

Wt: 426.4
BDBM50450287
Wt: 476.4
BDBM50284734
Wt: 400.3
BDBM50284736
Wt: 400.3
BDBM50284737
Wt: 428.4
BDBM50284738
Wt: 387.3
BDBM50284740
Wt: 415.3
BDBM50284741
Wt: 426.4
BDBM50284745
Wt: 350.3
BDBM50284748

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50450287,50284734,50284736,50284737,50284738,50284740,50284741,50284745,50284748   
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))
BDBM50284734
PNG
(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)
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Article
500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane


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

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50284740
PNG
(3-Allyloxycarbonylamino-5-(3-hydroxymethyl-naphtha...)
Show SMILES OCc1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C20H21NO7/c1-2-7-27-20(26)21-16(10-19(24)25)17(23)12-28-18-9-14-6-4-3-5-13(14)8-15(18)11-22/h2-6,8-9,16,22H,1,7,10-12H2,(H,21,26)(H,24,25)
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Article
1.20E+3n/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))
BDBM50284745
PNG
(3-Allyloxycarbonylamino-5-(4-carbamoyl-biphenyl-3-...)
Show SMILES NC(=O)c1ccc(cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C)-c1ccccc1
Show InChI InChI=1S/C22H22N2O7/c1-2-10-30-22(29)24-17(12-20(26)27)18(25)13-31-19-11-15(8-9-16(19)21(23)28)14-6-4-3-5-7-14/h2-9,11,17H,1,10,12-13H2,(H2,23,28)(H,24,29)(H,26,27)
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Article
2.00E+3n/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))
BDBM50284741
PNG
(3-(3-Allyloxycarbonylamino-4-carboxy-2-oxo-butoxy)...)
Show SMILES COC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C21H21NO8/c1-3-8-29-21(27)22-16(11-19(24)25)17(23)12-30-18-10-14-7-5-4-6-13(14)9-15(18)20(26)28-2/h3-7,9-10,16H,1,8,11-12H2,2H3,(H,22,27)(H,24,25)
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Article
2.60E+3n/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))
BDBM50284748
PNG
(3-Allyloxycarbonylamino-5-(2-carbamoyl-phenoxy)-4-...)
Show SMILES NC(=O)c1ccccc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
Show InChI InChI=1S/C16H18N2O7/c1-2-7-24-16(23)18-11(8-14(20)21)12(19)9-25-13-6-4-3-5-10(13)15(17)22/h2-6,11H,1,7-9H2,(H2,17,22)(H,18,23)(H,20,21)
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Article
3.80E+3n/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)
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>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)
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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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>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))
BDBM50450287
PNG
(CHEMBL31061)
Show SMILES NC(=O)c1cc(ccc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C)-c1ccccc1
Show InChI InChI=1S/C22H22N2O7/c1-2-10-30-22(29)24-17(12-20(26)27)18(25)13-31-19-9-8-15(11-16(19)21(23)28)14-6-4-3-5-7-14/h2-9,11,17H,1,10,12-13H2,(H2,23,28)(H,24,29)(H,26,27)
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Article
n/an/an/an/an/an/a 3.40E+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
Caspase-1


(Homo sapiens (human))
BDBM50284734
PNG
(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)
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Article
n/an/an/an/an/an/a 4.10E+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