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Compile Data Set for Download or QSAR

Found 410 hits of ic50 data for polymerid = 124   
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))
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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 5434-8 (2005)

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


Bioorg Med Chem Lett 21: 2192-7 (2011)

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/an/an/a



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)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 5434-8 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 14: 5295-300 (2004)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 17: 6178-82 (2007)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 14: 1269-72 (2004)

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


Bioorg Med Chem Lett 14: 2685-91 (2004)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Citation and Details
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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160983
PNG
((S)-5-Benzylsulfanyl-3-(2-{3-[3-(3-methyl-[1,2,4]o...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O
Show InChI InChI=1S/C26H32N6O6S/c1-3-20(32-13-12-28-24(26(32)37)27-11-7-10-22-29-17(2)31-38-22)25(36)30-19(14-23(34)35)21(33)16-39-15-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-20H,3,7,10-11,14-16H2,1-2H3,(H,27,28)(H,30,36)(H,34,35)/t19-,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


Bioorg Med Chem Lett 15: 1173-80 (2005)

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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160952
PNG
((S)-5-(Diethylaminomethyl-amino)-3-(2-{3-[(4-methy...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C22H34N8O6/c1-5-17(30-9-8-24-20(22(30)35)25-11-16-14(4)27-36-28-16)21(34)26-15(10-19(32)33)18(31)12-23-13-29(6-2)7-3/h8-9,15,17,23H,5-7,10-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160978
PNG
((S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}...)
Show SMILES CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160991
PNG
((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...)
Show SMILES CCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
Show InChI InChI=1S/C22H34N8O6/c1-5-8-29(4)13-23-12-18(31)15(10-19(32)33)26-21(34)17(6-2)30-9-7-24-20(22(30)35)25-11-16-14(3)27-36-28-16/h7,9,15,17,23H,5-6,8,10-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50160969
PNG
((S)-3-(2-{5-(1-Ethyl-1-methyl-propyl)-3-[(4-methyl...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(CC)CC
Show InChI InChI=1S/C31H52N8O6/c1-8-12-13-14-15-38(7)20-32-18-25(40)22(16-27(41)42)34-29(43)24(9-2)39-19-26(31(6,10-3)11-4)35-28(30(39)44)33-17-23-21(5)36-45-37-23/h19,22,24,32H,8-18,20H2,1-7H3,(H,33,35)(H,34,43)(H,41,42)/t22-,24?/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


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair
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