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Compile Data Set for Download or QSAR

Found 450 hits Enz. Inhib. hit(s) with Target = 'Caspase-8'   
Target
(Institution)
LigandTarget
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-8


(Homo sapiens (human))
BDBM10652
PNG
((3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formami...)
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)CCCc1ccccc1
Show InChI InChI=1S/C29H40N4O11/c1-16(2)26(29(44)32-20(14-24(38)39)22(35)11-7-10-18-8-5-4-6-9-18)33-27(42)19(12-13-23(36)37)31-28(43)21(15-25(40)41)30-17(3)34/h4-6,8-9,16,19-21,26H,7,10-15H2,1-3H3,(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,36,37)(H,38,39)(H,40,41)/t19-,20-,21-,26-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160960
PNG
((S)-3-{(S)-2-[3-((S)-2-Acetylamino-3-carboxy-propi...)
Show SMILES CC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(O)=O)NC(C)=O)c1=O
Show InChI InChI=1S/C27H32N4O9S/c1-3-21(26(39)30-19(12-23(34)35)22(33)15-41-14-17-8-5-4-6-9-17)31-11-7-10-18(27(31)40)29-25(38)20(13-24(36)37)28-16(2)32/h4-11,19-21H,3,12-15H2,1-2H3,(H,28,32)(H,29,38)(H,30,39)(H,34,35)(H,36,37)/t19-,20-,21-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160961
PNG
((S)-5-Benzylsulfanyl-3-{(S)-2-[2-(5-methanesulfony...)
Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C27H34N2O8S2/c1-17(2)26(29-24(31)13-19-12-20(39(4,35)36)10-11-23(19)37-3)27(34)28-21(14-25(32)33)22(30)16-38-15-18-8-6-5-7-9-18/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 0.490n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160965
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C=O)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C16H20N6O6/c1-3-12(15(26)19-10(8-23)6-13(24)25)22-5-4-17-14(16(22)27)18-7-11-9(2)20-28-21-11/h4-5,8,10,12H,3,6-7H2,1-2H3,(H,17,18)(H,19,26)(H,24,25)/t10-,12?/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160953
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[2-(3,5-dimethyl-pyra...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O
Show InChI InChI=1S/C27H34N6O5S/c1-4-22(32-12-10-28-25(27(32)38)29-11-13-33-19(3)14-18(2)31-33)26(37)30-21(15-24(35)36)23(34)17-39-16-20-8-6-5-7-9-20/h5-10,12,14,21-22H,4,11,13,15-17H2,1-3H3,(H,28,29)(H,30,37)(H,35,36)/t21-,22?/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160948
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160974
PNG
(CHEMBL366927 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Show SMILES CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p+1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160949
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophe...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O
Show InChI InChI=1S/C25H28N4O5S2/c1-2-20(29-11-10-26-23(25(29)34)27-14-18-9-6-12-36-18)24(33)28-19(13-22(31)32)21(30)16-35-15-17-7-4-3-5-8-17/h3-12,19-20H,2,13-16H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t19-,20?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160990
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazo...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O
Show InChI InChI=1S/C25H30N6O5S/c1-2-20(31-14-11-27-23(25(31)36)26-10-13-30-12-6-9-28-30)24(35)29-19(15-22(33)34)21(32)17-37-16-18-7-4-3-5-8-18/h3-9,11-12,14,19-20H,2,10,13,15-17H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t19-,20?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160947
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(4-methyl-furazan-3-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C24H28N6O6S/c1-3-19(30-10-9-25-22(24(30)35)26-12-18-15(2)28-36-29-18)23(34)27-17(11-21(32)33)20(31)14-37-13-16-7-5-4-6-8-16/h4-10,17,19H,3,11-14H2,1-2H3,(H,25,26)(H,27,34)(H,32,33)/t17-,19?/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160986
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazo...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O
Show InChI InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160975
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O
Show InChI InChI=1S/C24H27N5O6S/c1-2-19(29-10-9-25-22(24(29)34)26-13-17-8-11-35-28-17)23(33)27-18(12-21(31)32)20(30)15-36-14-16-6-4-3-5-7-16/h3-11,18-19H,2,12-15H2,1H3,(H,25,26)(H,27,33)(H,31,32)/t18-,19?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160972
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O
Show InChI InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160957
PNG
(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)
Show SMILES CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C27H43N7O6/c1-8-10-11-12-33(7)15-21(35)18(13-23(36)37)29-25(38)20(9-2)34-16-22(27(4,5)6)30-24(26(34)39)28-14-19-17(3)31-40-32-19/h16,18,20H,8-15H2,1-7H3,(H,28,30)(H,29,38)(H,36,37)/p+1
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50175337
PNG
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)
Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H33N5O8/c39-27-16-25(32(43)46-27)36-29(40)26-18-37(33(44)45-19-20-8-2-1-3-9-20)17-22-11-5-7-13-24(31(42)38(22)26)35-30(41)28-23-12-6-4-10-21(23)14-15-34-28/h1-10,12,14-15,22,24-26,32,43H,11,13,16-19H2,(H,35,41)(H,36,40)/b7-5-/t22-,24-,25-,26-,32?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Caspase 8


Citation and Details
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 4.20n/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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50340547
PNG
((4S,7S,10S,13S)-4-sec-butyl-7-(2-carboxyethyl)-13-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](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 4.20n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of caspase 8 by fluorometric assay


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160977
PNG
((S)-5-[(1,3-Dihydro-isoindol-2-ylmethyl)-amino]-3-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C26H32N8O6/c1-3-21(34-9-8-28-24(26(34)39)29-11-20-16(2)31-40-32-20)25(38)30-19(10-23(36)37)22(35)12-27-15-33-13-17-6-4-5-7-18(17)14-33/h4-9,19,21,27H,3,10-15H2,1-2H3,(H,28,29)(H,30,38)(H,36,37)/t19-,21?/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
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/a7.437



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160980
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(5-pheny...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(o2)-c2ccccc2)c1=O
Show InChI InChI=1S/C29H30N6O6S/c1-2-22(27(39)32-21(15-25(37)38)23(36)18-42-17-19-9-5-3-6-10-19)35-14-13-30-26(29(35)40)31-16-24-33-34-28(41-24)20-11-7-4-8-12-20/h3-14,21-22H,2,15-18H2,1H3,(H,30,31)(H,32,39)(H,37,38)/t21-,22?/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50175323
PNG
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)
Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H34N4O8/c39-29-17-27(33(43)46-29)36-31(41)28-19-37(34(44)45-20-21-8-2-1-3-9-21)18-25-12-6-7-13-26(32(42)38(25)28)35-30(40)24-15-14-22-10-4-5-11-23(22)16-24/h1-11,14-16,25-28,33,43H,12-13,17-20H2,(H,35,40)(H,36,41)/b7-6-/t25-,26-,27-,28-,33?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Caspase 8


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160976
PNG
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/t20-,22?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50153668
PNG
(3-[(S)-2-(2,4-Dichloro-benzyloxycarbonylamino)-3-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H21Cl2FN2O6/c1-9(2)16(17(27)22-13(6-15(25)26)14(24)7-21)23-18(28)29-8-10-3-4-11(19)5-12(10)20/h3-5,9,13,16H,6-8H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t13?,16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition concentration required against caspase-8


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160987
PNG
((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Show SMILES CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160951
PNG
((S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50223100
PNG
(2-(2-((S)-2-(benzyloxycarbonyl)-3-methylbutanamido...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF
Show InChI InChI=1S/C24H26FN3O7/c1-14(2)19(28-24(34)35-13-15-8-4-3-5-9-15)22(31)26-17-11-7-6-10-16(17)21(30)27-20(23(32)33)18(29)12-25/h3-11,14,19-20H,12-13H2,1-2H3,(H,26,31)(H,27,30)(H,28,34)(H,32,33)/t19-,20?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



EpiCept Corporation

Curated by ChEMBL


Assay Description
Inhibition of human caspase 8


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160956
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C22H32N8O6/c1-3-17(30-9-6-24-20(22(30)35)25-11-16-14(2)27-36-28-16)21(34)26-15(10-19(32)33)18(31)12-23-13-29-7-4-5-8-29/h6,9,15,17,23H,3-5,7-8,10-13H2,1-2H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160945
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-[1,2,4]oxa...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O
Show InChI InChI=1S/C24H28N6O6S/c1-3-18(30-10-9-25-22(24(30)35)26-12-20-27-15(2)29-36-20)23(34)28-17(11-21(32)33)19(31)14-37-13-16-7-5-4-6-8-16/h4-10,17-18H,3,11-14H2,1-2H3,(H,25,26)(H,28,34)(H,32,33)/t17-,18?/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160989
PNG
((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C29H48N8O6/c1-8-10-11-12-13-36(7)18-30-16-23(38)20(14-25(39)40)32-27(41)22(9-2)37-17-24(29(4,5)6)33-26(28(37)42)31-15-21-19(3)34-43-35-21/h17,20,22,30H,8-16,18H2,1-7H3,(H,31,33)(H,32,41)(H,39,40)/t20-,22?/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160973
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
Show InChI InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-8


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-8 enzyme


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160954
PNG
((S)-5-[(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-ami...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C27H34N8O6/c1-3-22(35-11-9-29-25(27(35)40)30-13-21-17(2)32-41-33-21)26(39)31-20(12-24(37)38)23(36)14-28-16-34-10-8-18-6-4-5-7-19(18)15-34/h4-7,9,11,20,22,28H,3,8,10,12-16H2,1-2H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160963
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(5-methyl-[1,2,4]oxa...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O
Show InChI InChI=1S/C24H28N6O6S/c1-3-18(30-10-9-25-22(24(30)35)26-12-20-27-15(2)36-29-20)23(34)28-17(11-21(32)33)19(31)14-37-13-16-7-5-4-6-8-16/h4-10,17-18H,3,11-14H2,1-2H3,(H,25,26)(H,28,34)(H,32,33)/t17-,18?/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50119262
PNG
(4-Methyl-2-[2-(naphthalen-1-ylamino)-acetylamino]-...)
Show SMILES CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C22H27N3O5/c1-13(2)10-17(21(28)25-18-11-20(27)30-22(18)29)24-19(26)12-23-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17-18,22-23,29H,10-12H2,1-2H3,(H,24,26)(H,25,28)/t17?,18-,22?/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Caspase-8 enzyme


Bioorg Med Chem Lett 12: 2973-5 (2002)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160988
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamin...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
Show InChI InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160982
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[(2,3-dihydro-benzo[1...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O
Show InChI InChI=1S/C29H32N4O7S/c1-2-22(28(37)32-21(14-26(35)36)23(34)18-41-17-19-8-4-3-5-9-19)33-13-12-30-27(29(33)38)31-15-20-16-39-24-10-6-7-11-25(24)40-20/h3-13,20-22H,2,14-18H2,1H3,(H,30,31)(H,32,37)(H,35,36)/t20?,21-,22?/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160959
PNG
((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)C
Show InChI InChI=1S/C28H46N8O6/c1-7-9-10-11-12-35(6)17-29-15-24(37)20(13-25(38)39)32-27(40)23(8-2)36-16-22(18(3)4)31-26(28(36)41)30-14-21-19(5)33-42-34-21/h16,18,20,23,29H,7-15,17H2,1-6H3,(H,30,31)(H,32,40)(H,38,39)/t20-,23?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160968
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[2-(3-methyl-[1,2,4]o...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O
Show InChI InChI=1S/C25H30N6O6S/c1-3-19(31-12-11-27-23(25(31)36)26-10-9-21-28-16(2)30-37-21)24(35)29-18(13-22(33)34)20(32)15-38-14-17-7-5-4-6-8-17/h4-8,11-12,18-19H,3,9-10,13-15H2,1-2H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160985
PNG
((S)-5-[(7-Aza-bicyclo[2.2.1]hept-7-ylmethyl)-amino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C24H34N8O6/c1-3-19(31-9-8-26-22(24(31)37)27-11-18-14(2)29-38-30-18)23(36)28-17(10-21(34)35)20(33)12-25-13-32-15-4-5-16(32)7-6-15/h8-9,15-17,19,25H,3-7,10-13H2,1-2H3,(H,26,27)(H,28,36)(H,34,35)/t15?,16?,17-,19?/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160964
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C25H31N7O6/c1-4-20(32-11-10-26-23(25(32)37)28-13-19-16(3)30-38-31-19)24(36)29-18(12-22(34)35)21(33)14-27-15(2)17-8-6-5-7-9-17/h5-11,15,18,20,27H,4,12-14H2,1-3H3,(H,26,28)(H,29,36)(H,34,35)/t15-,18-,20?/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160962
PNG
((S)-3-(2-{5-Ethyl-3-[(4-methyl-furazan-3-ylmethyl)...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C27H44N8O6/c1-6-9-10-11-12-34(5)17-28-15-23(36)20(13-24(37)38)31-26(39)22(8-3)35-16-19(7-2)30-25(27(35)40)29-14-21-18(4)32-41-33-21/h16,20,22,28H,6-15,17H2,1-5H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160943
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C25H25N7O7/c1-3-18(32-10-9-26-22(25(32)37)27-12-17-14(2)30-39-31-17)23(36)29-16(11-20(33)34)21(35)24-28-13-19(38-24)15-7-5-4-6-8-15/h4-10,13,16,18H,3,11-12H2,1-2H3,(H,26,27)(H,29,36)(H,33,34)/t16-,18?/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160966
PNG
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[3-(2-oxo...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O
Show InChI InChI=1S/C27H35N5O6S/c1-2-21(32-15-12-29-25(27(32)38)28-11-7-14-31-13-6-10-23(31)34)26(37)30-20(16-24(35)36)22(33)18-39-17-19-8-4-3-5-9-19/h3-5,8-9,12,15,20-21H,2,6-7,10-11,13-14,16-18H2,1H3,(H,28,29)(H,30,37)(H,35,36)/t20-,21?/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160967
PNG
((S)-5-(Dimethylaminomethyl-amino)-3-(2-{3-[(4-meth...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C20H30N8O6/c1-5-15(19(32)24-13(8-17(30)31)16(29)10-21-11-27(3)4)28-7-6-22-18(20(28)33)23-9-14-12(2)25-34-26-14/h6-7,13,15,21H,5,8-11H2,1-4H3,(H,22,23)(H,24,32)(H,30,31)/t13-,15?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160971
PNG
((S)-5-{[(Butyl-methyl-amino)-methyl]-amino}-3-(2-{...)
Show SMILES CCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C23H36N8O6/c1-5-7-9-30(4)14-24-13-19(32)16(11-20(33)34)27-22(35)18(6-2)31-10-8-25-21(23(31)36)26-12-17-15(3)28-37-29-17/h8,10,16,18,24H,5-7,9,11-14H2,1-4H3,(H,25,26)(H,27,35)(H,33,34)/t16-,18?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160950
PNG
((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160970
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCCCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C27H44N8O6/c1-5-7-8-9-10-11-13-34(4)18-28-17-23(36)20(15-24(37)38)31-26(39)22(6-2)35-14-12-29-25(27(35)40)30-16-21-19(3)32-41-33-21/h12,14,20,22,28H,5-11,13,15-18H2,1-4H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160955
PNG
((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(C)=O)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
Show InChI InChI=1S/C21H30N6O6/c1-7-15(19(31)23-13(12(3)28)8-17(29)30)27-10-16(21(4,5)6)24-18(20(27)32)22-9-14-11(2)25-33-26-14/h10,13,15H,7-9H2,1-6H3,(H,22,24)(H,23,31)(H,29,30)/t13-,15?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160958
PNG
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
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