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Compile Data Set for Download or QSAR

Found 60 hits of ph data with Target = 'Caspase-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-1


(Homo sapiens (human))
BDBM12197
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1
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PubMed
11 -47.3n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12066
PNG
((3S)-3-({2-[4-(butan-2-yl)-3-methylphenoxy]benzene...)
Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C
Show InChI InChI=1S/C21H25NO6S/c1-4-14(2)18-10-9-17(11-15(18)3)28-19-7-5-6-8-20(19)29(26,27)22-16(13-23)12-21(24)25/h5-11,13-14,16,22H,4,12H2,1-3H3,(H,24,25)/t14?,16-/m0/s1
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100 -41.6n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12064
PNG
((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...)
Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C
Show InChI InChI=1S/C20H23NO6S/c1-13(2)17-9-8-16(10-14(17)3)27-18-6-4-5-7-19(18)28(25,26)21-15(12-22)11-20(23)24/h4-10,12-13,15,21H,11H2,1-3H3,(H,23,24)/t15-/m0/s1
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110 -41.3n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12070
PNG
((3S)-4-oxo-3-{[2-(4-phenylphenoxy)benzene]sulfonam...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O
Show InChI InChI=1S/C22H19NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,18,23H,14H2,(H,25,26)/t18-/m0/s1
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290 -38.8n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12062
PNG
((3S)-4-oxo-3-({2-[3-(propan-2-yl)phenoxy]benzene}s...)
Show SMILES CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1
Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-6-5-7-16(10-14)26-17-8-3-4-9-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1
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410 -37.9n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12058
PNG
((3S)-3-{[2-(3-methylphenoxy)benzene]sulfonamido}-4...)
Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1
Show InChI InChI=1S/C17H17NO6S/c1-12-5-4-6-14(9-12)24-15-7-2-3-8-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1
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430 -37.8n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12067
PNG
((3S)-4-oxo-3-({2-[4-(pentan-3-yl)phenoxy]benzene}s...)
Show SMILES CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1
Show InChI InChI=1S/C21H25NO6S/c1-3-15(4-2)16-9-11-18(12-10-16)28-19-7-5-6-8-20(19)29(26,27)22-17(14-23)13-21(24)25/h5-12,14-15,17,22H,3-4,13H2,1-2H3,(H,24,25)/t17-/m0/s1
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440 -37.7n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12061
PNG
((3S)-4-oxo-3-{[2-(3,4,5-trimethylphenoxy)benzene]s...)
Show SMILES Cc1cc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc(C)c1C
Show InChI InChI=1S/C19H21NO6S/c1-12-8-16(9-13(2)14(12)3)26-17-6-4-5-7-18(17)27(24,25)20-15(11-21)10-19(22)23/h4-9,11,15,20H,10H2,1-3H3,(H,22,23)/t15-/m0/s1
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450 -37.7n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12065
PNG
((3S)-3-({2-[4-(butan-2-yl)phenoxy]benzene}sulfonam...)
Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1
Show InChI InChI=1S/C20H23NO6S/c1-3-14(2)15-8-10-17(11-9-15)27-18-6-4-5-7-19(18)28(25,26)21-16(13-22)12-20(23)24/h4-11,13-14,16,21H,3,12H2,1-2H3,(H,23,24)/t14?,16-/m0/s1
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490 -37.5n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12063
PNG
((3S)-4-oxo-3-({2-[4-(propan-2-yl)phenoxy]benzene}s...)
Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1
Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-7-9-16(10-8-14)26-17-5-3-4-6-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1
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620 -36.9n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12068
PNG
((3S)-3-{[2-(4-cyclopentylphenoxy)benzene]sulfonami...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCC1)C=O
Show InChI InChI=1S/C21H23NO6S/c23-14-17(13-21(24)25)22-29(26,27)20-8-4-3-7-19(20)28-18-11-9-16(10-12-18)15-5-1-2-6-15/h3-4,7-12,14-15,17,22H,1-2,5-6,13H2,(H,24,25)/t17-/m0/s1
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880 -36.0n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12069
PNG
((3S)-3-{[2-(4-cyclohexylphenoxy)benzene]sulfonamid...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCCC1)C=O
Show InChI InChI=1S/C22H25NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,15-16,18,23H,1-3,6-7,14H2,(H,25,26)/t18-/m0/s1
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900 -35.9n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12060
PNG
((3S)-3-{[2-(2,3-dimethylphenoxy)benzene]sulfonamid...)
Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1C
Show InChI InChI=1S/C18H19NO6S/c1-12-6-5-8-15(13(12)2)25-16-7-3-4-9-17(16)26(23,24)19-14(11-20)10-18(21)22/h3-9,11,14,19H,10H2,1-2H3,(H,21,22)/t14-/m0/s1
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1.00E+3 -35.6n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12059
PNG
((3S)-3-{[2-(4-methylphenoxy)benzene]sulfonamido}-4...)
Show SMILES Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1
Show InChI InChI=1S/C17H17NO6S/c1-12-6-8-14(9-7-12)24-15-4-2-3-5-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1
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1.10E+3 -35.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12055
PNG
((3S)-4-oxo-3-[(2-phenylbenzene)sulfonamido]butanoi...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O
Show InChI InChI=1S/C16H15NO5S/c18-11-13(10-16(19)20)17-23(21,22)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,11,13,17H,10H2,(H,19,20)/t13-/m0/s1
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1.60E+3 -34.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12055
PNG
((3S)-4-oxo-3-[(2-phenylbenzene)sulfonamido]butanoi...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O
Show InChI InChI=1S/C16H15NO5S/c18-11-13(10-16(19)20)17-23(21,22)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,11,13,17H,10H2,(H,19,20)/t13-/m0/s1
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1.60E+3 -34.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12049
PNG
((3S)-3-[(3-methyl-2-phenylbenzene)sulfonamido]-4-o...)
Show SMILES Cc1cccc(c1-c1ccccc1)S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C17H17NO5S/c1-12-6-5-9-15(17(12)13-7-3-2-4-8-13)24(22,23)18-14(11-19)10-16(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1
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1.90E+3 -34.0n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12054
PNG
((3S)-3-{[2-(3-acetamidophenyl)benzene]sulfonamido}...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C18H18N2O6S/c1-12(22)19-14-6-4-5-13(9-14)16-7-2-3-8-17(16)27(25,26)20-15(11-21)10-18(23)24/h2-9,11,15,20H,10H2,1H3,(H,19,22)(H,23,24)/t15-/m0/s1
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2.30E+3 -33.5n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12056
PNG
((3S)-4-oxo-3-[(2-phenoxybenzene)sulfonamido]butano...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccccc1)C=O
Show InChI InChI=1S/C16H15NO6S/c18-11-12(10-16(19)20)17-24(21,22)15-9-5-4-8-14(15)23-13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,19,20)/t12-/m0/s1
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2.40E+3 -33.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12057
PNG
((3S)-3-{[2-(2-methylphenoxy)benzene]sulfonamido}-4...)
Show SMILES Cc1ccccc1Oc1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C17H17NO6S/c1-12-6-2-3-7-14(12)24-15-8-4-5-9-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1
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3.00E+3 -32.8n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12051
PNG
((3S)-3-{[2-(3-methylphenyl)benzene]sulfonamido}-4-...)
Show SMILES Cc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C17H17NO5S/c1-12-5-4-6-13(9-12)15-7-2-3-8-16(15)24(22,23)18-14(11-19)10-17(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1
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3.10E+3 -32.7n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12071
PNG
(4-[4-(2-{[(2S)-1-carboxy-3-oxopropan-2-yl]sulfamoy...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccc(cc1)C(O)=O)C=O
Show InChI InChI=1S/C23H19NO8S/c25-14-18(13-22(26)27)24-33(30,31)21-4-2-1-3-20(21)32-19-11-9-16(10-12-19)15-5-7-17(8-6-15)23(28)29/h1-12,14,18,24H,13H2,(H,26,27)(H,28,29)/t18-/m0/s1
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4.20E+3 -31.9n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem Lett 11: 2779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00573-x
BindingDB Entry DOI: 10.7270/Q26W9896
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12050
PNG
((3S)-3-{[2-(2-methylphenyl)benzene]sulfonamido}-4-...)
Show SMILES Cc1ccccc1-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C17H17NO5S/c1-12-6-2-3-7-14(12)15-8-4-5-9-16(15)24(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1
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6.80E+3 -30.7n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12053
PNG
((3S)-3-{[2-(naphthalen-1-yl)benzene]sulfonamido}-4...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)C=O
Show InChI InChI=1S/C20H17NO5S/c22-13-15(12-20(23)24)21-27(25,26)19-11-4-3-9-18(19)17-10-5-7-14-6-1-2-8-16(14)17/h1-11,13,15,21H,12H2,(H,23,24)/t15-/m0/s1
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6.90E+3 -30.6n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12052
PNG
((3S)-3-{[2-(4-methylphenyl)benzene]sulfonamido}-4-...)
Show SMILES Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C17H17NO5S/c1-12-6-8-13(9-7-12)15-4-2-3-5-16(15)24(22,23)18-14(11-19)10-17(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1
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7.20E+3 -30.5n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12047
PNG
((3S)-3-benzenesulfonamido-4-oxobutanoic acid | (S)...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C=O
Show InChI InChI=1S/C10H11NO5S/c12-7-8(6-10(13)14)11-17(15,16)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,13,14)/t8-/m0/s1
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9.40E+3 -29.8n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12045
PNG
((3S)-3-benzenesulfonamido-4-oxo-9-phenylnonanoic a...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C21H25NO5S/c23-20(15-9-2-6-12-17-10-4-1-5-11-17)19(16-21(24)25)22-28(26,27)18-13-7-3-8-14-18/h1,3-5,7-8,10-11,13-14,19,22H,2,6,9,12,15-16H2,(H,24,25)/t19-/m0/s1
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2.40E+4 -27.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12046
PNG
((3S)-3-benzenesulfonamido-4-oxo-5-[(3-phenylpropyl...)
Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C20H23NO5S2/c22-19(15-27-13-7-10-16-8-3-1-4-9-16)18(14-20(23)24)21-28(25,26)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,21H,7,10,13-15H2,(H,23,24)/t18-/m0/s1
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2.40E+4 -27.4n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12044
PNG
((3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-5-[(3-ph...)
Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C22H25NO5S/c24-20(16-29-13-7-12-17-8-3-1-4-9-17)19(14-21(25)26)23-22(27)28-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27)(H,25,26)/t19-/m0/s1
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2.50E+4 -27.3n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM12043
PNG
((3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-9-phenyl...)
Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C23H27NO5/c25-21(15-9-3-6-12-18-10-4-1-5-11-18)20(16-22(26)27)24-23(28)29-17-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2,(H,24,28)(H,26,27)/t20-/m0/s1
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1.19E+5 -23.3n/an/an/an/an/a7.037



Pfizer



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...


Bioorg Med Chem 10: 31-40 (2002)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q2BP011G
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM220
PNG
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O
Show InChI InChI=1S/C19H18N2O9S/c22-10-13(7-17(24)25)21-18(26)12-3-1-11(2-4-12)9-20-31(29,30)14-5-6-16(23)15(8-14)19(27)28/h1-6,8,10,13,20,23H,7,9H2,(H,21,26)(H,24,25)(H,27,28)/t13-/m0/s1
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160 -38.8n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM222
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O9S2/c27-20-4-2-1-3-16(20)13-40-14-23(32)21(10-24(33)34)30-25(35)15-5-6-17(28-11-15)12-29-41(38,39)18-7-8-22(31)19(9-18)26(36)37/h1-9,11,21,29,31H,10,12-14H2,(H,30,35)(H,33,34)(H,36,37)/t21-/m0/s1
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1.50E+3 -33.2n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM225
PNG
((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O
Show InChI InChI=1S/C17H16N2O9S2/c20-8-9(5-15(22)23)19-16(24)14-4-1-10(29-14)7-18-30(27,28)11-2-3-13(21)12(6-11)17(25)26/h1-4,6,8-9,18,21H,5,7H2,(H,19,24)(H,22,23)(H,25,26)/t9-/m0/s1
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1.90E+3 -32.7n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM227
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H25ClN2O9S3/c1-14-8-16(11-28-41(37,38)17-6-7-21(30)18(9-17)26(35)36)40-24(14)25(34)29-20(10-23(32)33)22(31)13-39-12-15-4-2-3-5-19(15)27/h2-9,20,28,30H,10-13H2,1H3,(H,29,34)(H,32,33)(H,35,36)/t20-/m0/s1
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2.70E+3 -31.8n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM226
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN2O9S3/c26-18-4-2-1-3-14(18)12-38-13-21(30)19(10-23(31)32)28-24(33)22-8-5-15(39-22)11-27-40(36,37)16-6-7-20(29)17(9-16)25(34)35/h1-9,19,27,29H,10-13H2,(H,28,33)(H,31,32)(H,34,35)/t19-/m0/s1
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3.20E+3 -31.4n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM221
PNG
(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
Show InChI InChI=1S/C18H17N3O9S/c22-9-12(5-16(24)25)21-17(26)10-1-2-11(19-7-10)8-20-31(29,30)13-3-4-15(23)14(6-13)18(27)28/h1-4,6-7,9,12,20,23H,5,8H2,(H,21,26)(H,24,25)(H,27,28)/t12-/m0/s1
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3.90E+3 -30.9n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM224
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C24H22ClN3O9S3/c25-16-4-2-1-3-13(16)11-38-12-19(30)17(8-22(31)32)28-23(33)20-9-26-21(39-20)10-27-40(36,37)14-5-6-18(29)15(7-14)24(34)35/h1-7,9,17,27,29H,8,10-12H2,(H,28,33)(H,31,32)(H,34,35)/t17-/m0/s1
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PubMed
8.30E+3 -29.0n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM219
PNG
(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Show SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C27H27ClN2O7S2/c1-30(12-16-6-8-22(31)19(10-16)27(36)37)13-18-7-9-24(39-18)26(35)29-21(11-25(33)34)23(32)15-38-14-17-4-2-3-5-20(17)28/h2-10,21,31H,11-15H2,1H3,(H,29,35)(H,33,34)(H,36,37)/t21-/m0/s1
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1.20E+4 -28.1n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM223
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN4O9S2/c26-18-4-2-1-3-14(18)12-40-13-21(32)19(8-23(33)34)30-24(35)15-9-27-22(28-10-15)11-29-41(38,39)16-5-6-20(31)17(7-16)25(36)37/h1-7,9-10,19,29,31H,8,11-13H2,(H,30,35)(H,33,34)(H,36,37)/t19-/m0/s1
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2.50E+4 -26.3n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



Assay Description
The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29571
PNG
(isatin sulfonamide, 10a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1
Show InChI InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a>1.00E+4n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29572
PNG
(isatin Michael acceptor (IMA) analogue, 11a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2
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n/an/a 4.10E+3n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29573
PNG
(isatin Michael acceptor (IMA) analogue, 11b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29574
PNG
(isatin Michael acceptor (IMA) analogue, 11c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C23H18Cl2N4O3S/c24-19-6-4-15(10-20(19)25)14-29-21-7-5-17(33(31,32)28-8-2-1-3-9-28)11-18(21)22(23(29)30)16(12-26)13-27/h4-7,10-11H,1-3,8-9,14H2
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n/an/a>1.00E+4n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29575
PNG
(isatin Michael acceptor (IMA) analogue, 12a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H18N4O4S/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2
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n/an/a 3.88E+3n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29570
PNG
(isatin sulfonamide, 9c)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2
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n/an/a>2.50E+4n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29569
PNG
(isatin sulfonamide, 6)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C12H12N2O5S/c15-11-9-7-8(1-2-10(9)13-12(11)16)20(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
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n/an/a>2.50E+4n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 8.40n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29576
PNG
(isatin Michael acceptor (IMA) analogue, 12b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3
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n/an/a 6.83E+3n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29577
PNG
(isatin Michael acceptor (IMA) analogue, 12c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C22H16Cl2N4O4S/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2
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n/an/a 5.35E+3n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM29578
PNG
(isatin Michael acceptor (IMA) analogue, 13a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCSCC1
Show InChI InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2
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n/an/a 4.58E+3n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
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