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Compile Data Set for Download or QSAR

Found 96 hits of Enz. Inhib. data with enzyme = 'Caspase-8' and Substrate = 'Caspase-8 Fluorogenic Substrate'   
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-8


(Homo sapiens (human))
BDBM10215
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2
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Article
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2.70E+3n/an/an/an/an/an/an/an/a



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10323
PNG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10216
PNG
(BI-7E7 | Burnham Institute Compound 2 | ethyl 2-(2...)
Show SMILES CCOC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C14H13NO4S/c1-2-17-14(16)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,2,7H2,1H3
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3.00E+4n/an/an/an/an/an/an/an/a



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10298
PNG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
Show InChI InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2
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3.10E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10318
PNG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10309
PNG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11-9-7-8(3-4-10(9)13-12(11)16)19(17,18)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10316
PNG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10297
PNG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
Show InChI InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10315
PNG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1
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8.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10357
PNG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
Show SMILES CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10?,11?,13-,14-,17-,18-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10535
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10556
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-...)
Show SMILES COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10551
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...)
Show SMILES COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10246
PNG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10555
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-...)
Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1
Show InChI InChI=1S/C29H34N4O8S/c1-16(2)25(27(38)31-21(13-24(35)36)22(34)15-42-14-18-8-6-5-7-9-18)32-28(39)26(37)20-12-19(10-11-23(20)40-4)29-30-17(3)33-41-29/h5-12,16,21,25-26,37H,13-15H2,1-4H3,(H,31,38)(H,32,39)(H,35,36)/t21-,25-,26?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10674
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10553
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...)
Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O
Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1
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n/an/a 635n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10671
PNG
((3S)-3-[(2S)-2-{1-[5-(carboxymethoxy)-2-ethoxyphen...)
Show SMILES CCOc1ccc(OCC(O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl
Show InChI InChI=1S/C29H34ClFN2O9S/c1-4-41-24-9-8-18(42-13-27(38)39)10-17(24)11-25(35)33-28(16(2)3)29(40)32-22(12-26(36)37)23(34)15-43-14-19-20(30)6-5-7-21(19)31/h5-10,16,22,28H,4,11-15H2,1-3H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)/t22-,28-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10549
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C27H34N2O8S/c1-16(2)24(29-27(35)25(33)19-12-18(36-3)10-11-22(19)37-4)26(34)28-20(13-23(31)32)21(30)15-38-14-17-8-6-5-7-9-17/h5-12,16,20,24-25,33H,13-15H2,1-4H3,(H,28,34)(H,29,35)(H,31,32)/t20-,24-,25?/m0/s1
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n/an/a 975n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10537
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23+/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10531
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C29H37BrN2O6S/c1-17(2)26(21-13-20(30)11-12-24(21)38-5)28(36)32-27(18(3)4)29(37)31-22(14-25(34)35)23(33)16-39-15-19-9-7-6-8-10-19/h6-13,17-18,22,26-27H,14-16H2,1-5H3,(H,31,37)(H,32,36)(H,34,35)/t22-,26-,27-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10675
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(3S)-3-formamido-3-(phenyl...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C32H40N4O9/c1-19(2)28(32(45)34-23(17-26(38)39)25(37)16-10-13-21-11-6-4-7-12-21)36-29(42)20(3)33-31(44)24(18-27(40)41)35-30(43)22-14-8-5-9-15-22/h4-9,11-12,14-15,19-20,23-24,28H,10,13,16-18H2,1-3H3,(H,33,44)(H,34,45)(H,35,43)(H,36,42)(H,38,39)(H,40,41)/t20-,23-,24-,28-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10533
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C29H35BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h5-8,10-14,18,21,23,27H,1,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10527
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...)
Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10527
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...)
Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10664
PNG
((3S)-5-[(cyclohexylmethyl)sulfanyl]-3-[(2S)-2-[1-(...)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC2CCCCC2)c1
Show InChI InChI=1S/C27H40N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h10-12,17-18,21,26H,5-9,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10527
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...)
Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10663
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl)c1
Show InChI InChI=1S/C27H32ClFN2O7S/c1-15(2)26(31-24(33)11-16-10-17(37-3)8-9-23(16)38-4)27(36)30-21(12-25(34)35)22(32)14-39-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10552
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O
Show InChI InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10554
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1
Show InChI InChI=1S/C29H34N4O7S/c1-17(2)27(28(38)31-22(14-26(36)37)23(34)16-41-15-19-8-6-5-7-9-19)32-25(35)13-21-12-20(10-11-24(21)39-4)29-30-18(3)33-40-29/h5-12,17,22,27H,13-16H2,1-4H3,(H,31,38)(H,32,35)(H,36,37)/t22-,27-/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10661
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(5-fluoro-1H-in...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H28FN3O5S/c1-15(2)24(30-25(34)21-11-17-10-18(27)8-9-19(17)28-21)26(35)29-20(12-23(32)33)22(31)14-36-13-16-6-4-3-5-7-16/h3-11,15,20,24,28H,12-14H2,1-2H3,(H,29,35)(H,30,34)(H,32,33)/t20-,24-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10538
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23-/m0/s1
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n/an/a 3.65E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10653
PNG
((3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-(...)
Show SMILES CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl
Show InChI InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10552
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O
Show InChI InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10534
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1
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n/an/a 4.47E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10529
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC
Show InChI InChI=1S/C29H37BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h6-8,10-14,18,21,23,27H,5,9,15-17H2,1-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1
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n/an/a 4.51E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10528
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C27H33BrN2O6S/c1-16(2)25(30-26(34)17(3)20-12-19(28)10-11-23(20)36-4)27(35)29-21(13-24(32)33)22(31)15-37-14-18-8-6-5-7-9-18/h5-12,16-17,21,25H,13-15H2,1-4H3,(H,29,35)(H,30,34)(H,32,33)/t17-,21-,25-/m0/s1
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n/an/a 5.38E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10530
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...)
Show SMILES COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C33H37BrN2O6S/c1-21(2)31(33(41)35-27(18-30(38)39)28(37)20-43-19-23-12-8-5-9-13-23)36-32(40)26(16-22-10-6-4-7-11-22)25-17-24(34)14-15-29(25)42-3/h4-15,17,21,26-27,31H,16,18-20H2,1-3H3,(H,35,41)(H,36,40)(H,38,39)/t26-,27-,31-/m0/s1
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n/an/a 5.83E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10670
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl
Show InChI InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10548
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1
Show InChI InChI=1S/C27H34N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10539
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...)
Show SMILES CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,20+/m0/s1
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n/an/a 7.27E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10540
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...)
Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,20-/m0/s1
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n/an/a 7.34E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10662
PNG
((3S)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-...)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC(C)C)c1
Show InChI InChI=1S/C24H36N2O7S/c1-14(2)12-34-13-19(27)18(11-22(29)30)25-24(31)23(15(3)4)26-21(28)10-16-9-17(32-5)7-8-20(16)33-6/h7-9,14-15,18,23H,10-13H2,1-6H3,(H,25,31)(H,26,28)(H,29,30)/t18-,23-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10548
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1
Show InChI InChI=1S/C27H34N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1
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n/an/a 7.91E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10542
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-phe...)
Show SMILES CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C26H32N2O6S/c1-17(2)23(28-25(33)26(3,34)19-12-8-5-9-13-19)24(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23,34H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,26?/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10660
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(3,5-dibromophe...)
Show SMILES CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C24H26Br2N2O5S/c1-14(2)22(28-23(32)16-8-17(25)10-18(26)9-16)24(33)27-19(11-21(30)31)20(29)13-34-12-15-6-4-3-5-7-15/h3-10,14,19,22H,11-13H2,1-2H3,(H,27,33)(H,28,32)(H,30,31)/t19-,22-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10541
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-methoxy-...)
Show SMILES CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N2O6S/c1-17(2)23(28-26(33)24(34-3)19-12-8-5-9-13-19)25(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23-24H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,24-/m0/s1
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n/an/a 9.18E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10669
PNG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)
Show SMILES CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl
Show InChI InChI=1S/C30H36ClFN2O9S/c1-5-42-25-10-9-19(43-14-28(39)41-4)11-18(25)12-26(36)34-29(17(2)3)30(40)33-23(13-27(37)38)24(35)16-44-15-20-21(31)7-6-8-22(20)32/h6-11,17,23,29H,5,12-16H2,1-4H3,(H,33,40)(H,34,36)(H,37,38)/t23-,29-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 14: 805-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.064
BindingDB Entry DOI: 10.7270/Q20P0X88
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10544
PNG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-ethyl-2-hydro...)
Show SMILES CCC(O)(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C23H34N2O6S/c1-5-23(31,6-2)22(30)25-20(15(3)4)21(29)24-17(12-19(27)28)18(26)14-32-13-16-10-8-7-9-11-16/h7-11,15,17,20,31H,5-6,12-14H2,1-4H3,(H,24,29)(H,25,30)(H,27,28)/t17-,20-/m0/s1
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n/an/a 9.58E+3n/an/an/an/an/an/a



Merck Frosst Canada & Co.



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 15: 3886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7
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Ligand-Target Pair
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