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Compile Data Set for Download or QSAR

Found 85 hits of Enz. Inhib. data with enzyme = 'Caspase-3' and Substrate = 'Caspase-3 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-3


(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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PubMed
0.230 -13.1n/an/an/an/an/a7.525



Merck Research Laboratories



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


J Biol Chem 273: 32608-13 (1998)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q26D5R5V
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM223
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN4O9S2/c26-18-4-2-1-3-14(18)12-40-13-21(32)19(8-23(33)34)30-24(35)15-9-27-22(28-10-15)11-29-41(38,39)16-5-6-20(31)17(7-16)25(36)37/h1-7,9-10,19,29,31H,8,11-13H2,(H,30,35)(H,33,34)(H,36,37)/t19-/m0/s1
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20 -10.5n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM263
PNG
((S)-5-({5-[1-Carboxymethyl-2-oxo-3-(pyridin-3-ylme...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1cccnc1
Show InChI InChI=1S/C24H23N3O9S3/c28-19-5-4-16(8-17(19)24(33)34)39(35,36)26-11-15-3-6-21(38-15)23(32)27-18(9-22(30)31)20(29)13-37-12-14-2-1-7-25-10-14/h1-8,10,18,26,28H,9,11-13H2,(H,27,32)(H,30,31)(H,33,34)/t18-/m0/s1
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20 -10.5n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM280
PNG
((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
Show InChI InChI=1S/C17H16N4O9S/c22-8-10(3-15(24)25)21-16(26)9-5-18-14(19-6-9)7-20-31(29,30)11-1-2-13(23)12(4-11)17(27)28/h1-2,4-6,8,10,20,23H,3,7H2,(H,21,26)(H,24,25)(H,27,28)/t10-/m0/s1
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20 -10.5n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM226
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN2O9S3/c26-18-4-2-1-3-14(18)12-38-13-21(30)19(10-23(31)32)28-24(33)22-8-5-15(39-22)11-27-40(36,37)16-6-7-20(29)17(9-16)25(34)35/h1-9,19,27,29H,10-13H2,(H,28,33)(H,31,32)(H,34,35)/t19-/m0/s1
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20 -10.5n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM222
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O9S2/c27-20-4-2-1-3-16(20)13-40-14-23(32)21(10-24(33)34)30-25(35)15-5-6-17(28-11-15)12-29-41(38,39)18-7-8-22(31)19(9-18)26(36)37/h1-9,11,21,29,31H,10,12-14H2,(H,30,35)(H,33,34)(H,36,37)/t21-/m0/s1
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30 -10.3n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM224
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C24H22ClN3O9S3/c25-16-4-2-1-3-13(16)11-38-12-19(30)17(8-22(31)32)28-23(33)20-9-26-21(39-20)10-27-40(36,37)14-5-6-18(29)15(7-14)24(34)35/h1-7,9,17,27,29H,8,10-12H2,(H,28,33)(H,31,32)(H,34,35)/t17-/m0/s1
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30 -10.3n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM264
PNG
((S)-5-({5-[1-Carboxymethyl-2-oxo-3-(pyridin-4-ylme...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccncc1
Show InChI InChI=1S/C24H23N3O9S3/c28-19-3-2-16(9-17(19)24(33)34)39(35,36)26-11-15-1-4-21(38-15)23(32)27-18(10-22(30)31)20(29)13-37-12-14-5-7-25-8-6-14/h1-9,18,26,28H,10-13H2,(H,27,32)(H,30,31)(H,33,34)/t18-/m0/s1
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30 -10.3n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM227
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H25ClN2O9S3/c1-14-8-16(11-28-41(37,38)17-6-7-21(30)18(9-17)26(35)36)40-24(14)25(34)29-20(10-23(32)33)22(31)13-39-12-15-4-2-3-5-19(15)27/h2-9,20,28,30H,10-13H2,1H3,(H,29,34)(H,32,33)(H,35,36)/t20-/m0/s1
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40 -10.1n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM221
PNG
(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
Show InChI InChI=1S/C18H17N3O9S/c22-9-12(5-16(24)25)21-17(26)10-1-2-11(19-7-10)8-20-31(29,30)13-3-4-15(23)14(6-13)18(27)28/h1-4,6-7,9,12,20,23H,5,8H2,(H,21,26)(H,24,25)(H,27,28)/t12-/m0/s1
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50 -9.95n/an/an/an/an/a7.425



Sunesis Pharmaceuticals





J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM232
PNG
((S)-5-({3-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C24H22ClN3O10S2/c25-17-4-2-1-3-13(17)11-39-12-21(30)18(9-22(31)32)27-23(33)19-7-14(38-28-19)10-26-40(36,37)15-5-6-20(29)16(8-15)24(34)35/h1-8,18,26,29H,9-12H2,(H,27,33)(H,31,32)(H,34,35)/t18-/m0/s1
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60 -9.85n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM230
PNG
((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-t...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O
Show InChI InChI=1S/C16H15N3O9S2/c20-7-8(3-14(22)23)19-15(24)12-5-17-13(29-12)6-18-30(27,28)9-1-2-11(21)10(4-9)16(25)26/h1-2,4-5,7-8,18,21H,3,6H2,(H,19,24)(H,22,23)(H,25,26)/t8-/m0/s1
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70 -9.75n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10193
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(Cl)c1)C=O
Show InChI InChI=1S/C23H25ClN2O9S/c24-15-5-3-4-14(10-15)18(22(31)26-16(13-27)11-21(29)30)6-1-2-9-25-36(34,35)17-7-8-20(28)19(12-17)23(32)33/h3-5,7-8,10,12-13,16,18,25,28H,1-2,6,9,11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/m0/s1
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70 -9.66n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10198
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccs1)C=O
Show InChI InChI=1S/C21H24N2O9S2/c24-12-13(10-19(26)27)23-20(28)15(18-5-3-9-33-18)4-1-2-8-22-34(31,32)14-6-7-17(25)16(11-14)21(29)30/h3,5-7,9,11-13,15,22,25H,1-2,4,8,10H2,(H,23,28)(H,26,27)(H,29,30)/t13-,15?/m0/s1
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70n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM219
PNG
(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
Show SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C27H27ClN2O7S2/c1-30(12-16-6-8-22(31)19(10-16)27(36)37)13-18-7-9-24(39-18)26(35)29-21(11-25(33)34)23(32)15-38-14-17-4-2-3-5-20(17)28/h2-10,21,31H,11-15H2,1H3,(H,29,35)(H,33,34)(H,36,37)/t21-/m0/s1
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90 -9.61n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM229
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN4O9S2/c26-18-4-2-1-3-14(18)12-40-13-22(32)19(8-23(33)34)30-24(35)20-11-27-15(9-28-20)10-29-41(38,39)16-5-6-21(31)17(7-16)25(36)37/h1-7,9,11,19,29,31H,8,10,12-13H2,(H,30,35)(H,33,34)(H,36,37)/t19-/m0/s1
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90 -9.61n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10199
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccsc1)C=O
Show InChI InChI=1S/C21H24N2O9S2/c24-11-14(9-19(26)27)23-20(28)16(13-6-8-33-12-13)3-1-2-7-22-34(31,32)15-4-5-18(25)17(10-15)21(29)30/h4-6,8,10-12,14,16,22,25H,1-3,7,9H2,(H,23,28)(H,26,27)(H,29,30)/t14-,16?/m0/s1
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100n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10205
PNG
((3S)-4-oxo-3-(6-{[3-(5-oxo-4,5-dihydro-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)o[nH]1)c1ccccc1)C=O
Show InChI InChI=1S/C24H26N4O8S/c29-15-18(14-21(30)31)26-23(32)20(16-7-2-1-3-8-16)11-4-5-12-25-37(34,35)19-10-6-9-17(13-19)22-27-24(33)36-28-22/h1-3,6-10,13,15,18,20,25H,4-5,11-12,14H2,(H,26,32)(H,30,31)(H,27,28,33)/t18-,20?/m0/s1
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100n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10196
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES Cc1cccc(c1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H28N2O9S/c1-15-5-4-6-16(11-15)19(23(31)26-17(14-27)12-22(29)30)7-2-3-10-25-36(34,35)18-8-9-21(28)20(13-18)24(32)33/h4-6,8-9,11,13-14,17,19,25,28H,2-3,7,10,12H2,1H3,(H,26,31)(H,29,30)(H,32,33)/t17-,19?/m0/s1
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100 -9.45n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10189
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1F)C=O
Show InChI InChI=1S/C23H25FN2O9S/c24-19-7-2-1-5-16(19)17(22(31)26-14(13-27)11-21(29)30)6-3-4-10-25-36(34,35)15-8-9-20(28)18(12-15)23(32)33/h1-2,5,7-9,12-14,17,25,28H,3-4,6,10-11H2,(H,26,31)(H,29,30)(H,32,33)/t14-,17?/m0/s1
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100 -9.45n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10188
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O
Show InChI InChI=1S/C23H26N2O9S/c26-14-16(12-21(28)29)25-22(30)18(15-6-2-1-3-7-15)8-4-5-11-24-35(33,34)17-9-10-20(27)19(13-17)23(31)32/h1-3,6-7,9-10,13-14,16,18,24,27H,4-5,8,11-12H2,(H,25,30)(H,28,29)(H,31,32)/t16-,18?/m0/s1
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100 -9.45n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM225
PNG
((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O
Show InChI InChI=1S/C17H16N2O9S2/c20-8-9(5-15(22)23)19-16(24)14-4-1-10(29-14)7-18-30(27,28)11-2-3-13(21)12(6-11)17(25)26/h1-4,6,8-9,18,21H,5,7H2,(H,19,24)(H,22,23)(H,25,26)/t9-/m0/s1
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120 -9.43n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM253
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)S(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H25ClN2O9S3/c1-29(41(37,38)17-7-8-21(30)18(10-17)26(35)36)12-16-6-9-23(40-16)25(34)28-20(11-24(32)33)22(31)14-39-13-15-4-2-3-5-19(15)27/h2-10,20,30H,11-14H2,1H3,(H,28,34)(H,32,33)(H,35,36)/t20-/m0/s1
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140 -9.34n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM256
PNG
((S)-5-[(Acetyl-{5-[1-carboxymethyl-3-(2-chloro-ben...)
Show SMILES CC(=O)N(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C28H27ClN2O8S2/c1-16(32)31(12-17-6-8-23(33)20(10-17)28(38)39)13-19-7-9-25(41-19)27(37)30-22(11-26(35)36)24(34)15-40-14-18-4-2-3-5-21(18)29/h2-10,22,33H,11-15H2,1H3,(H,30,37)(H,35,36)(H,38,39)/t22-/m0/s1
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140 -9.34n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM269
PNG
((S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O
Show InChI InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1
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160 -9.26n/an/an/an/an/a7.425



Sunesis Pharmaceuticals





J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM231
PNG
((S)-5-{[3-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)is...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O
Show InChI InChI=1S/C16H15N3O10S/c20-7-8(3-14(22)23)18-15(24)12-4-9(29-19-12)6-17-30(27,28)10-1-2-13(21)11(5-10)16(25)26/h1-2,4-5,7-8,17,21H,3,6H2,(H,18,24)(H,22,23)(H,25,26)/t8-/m0/s1
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160 -9.26n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM277
PNG
((S)-5-{[5-(1-Carboxymethyl-3-methylsulfanyl-2-oxo-...)
Show SMILES CSCC(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1
Show InChI InChI=1S/C20H21N3O9S2/c1-33-10-17(25)15(7-18(26)27)23-19(28)11-2-3-12(21-8-11)9-22-34(31,32)13-4-5-16(24)14(6-13)20(29)30/h2-6,8,15,22,24H,7,9-10H2,1H3,(H,23,28)(H,26,27)(H,29,30)/t15-/m0/s1
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190 -9.16n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10190
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(F)c1)C=O
Show InChI InChI=1S/C23H25FN2O9S/c24-15-5-3-4-14(10-15)18(22(31)26-16(13-27)11-21(29)30)6-1-2-9-25-36(34,35)17-7-8-20(28)19(12-17)23(32)33/h3-5,7-8,10,12-13,16,18,25,28H,1-2,6,9,11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/m0/s1
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200 -9.04n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10195
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES Cc1ccccc1C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H28N2O9S/c1-15-6-2-3-7-18(15)19(23(31)26-16(14-27)12-22(29)30)8-4-5-11-25-36(34,35)17-9-10-21(28)20(13-17)24(32)33/h2-3,6-7,9-10,13-14,16,19,25,28H,4-5,8,11-12H2,1H3,(H,26,31)(H,29,30)(H,32,33)/t16-,19?/m0/s1
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200 -9.04n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10191
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(F)cc1)C=O
Show InChI InChI=1S/C23H25FN2O9S/c24-15-6-4-14(5-7-15)18(22(31)26-16(13-27)11-21(29)30)3-1-2-10-25-36(34,35)17-8-9-20(28)19(12-17)23(32)33/h4-9,12-13,16,18,25,28H,1-3,10-11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/m0/s1
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200 -9.04n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM220
PNG
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O
Show InChI InChI=1S/C19H18N2O9S/c22-10-13(7-17(24)25)21-18(26)12-3-1-11(2-4-12)9-20-31(29,30)14-5-6-16(23)15(8-14)19(27)28/h1-6,8,10,13,20,23H,7,9H2,(H,21,26)(H,24,25)(H,27,28)/t13-/m0/s1
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200 -9.13n/an/an/an/an/a7.425



Sunesis Pharmaceuticals





J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10194
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(Cl)cc1)C=O
Show InChI InChI=1S/C23H25ClN2O9S/c24-15-6-4-14(5-7-15)18(22(31)26-16(13-27)11-21(29)30)3-1-2-10-25-36(34,35)17-8-9-20(28)19(12-17)23(32)33/h4-9,12-13,16,18,25,28H,1-3,10-11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/m0/s1
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200 -9.04n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10192
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1Cl)C=O
Show InChI InChI=1S/C23H25ClN2O9S/c24-19-7-2-1-5-16(19)17(22(31)26-14(13-27)11-21(29)30)6-3-4-10-25-36(34,35)15-8-9-20(28)18(12-15)23(32)33/h1-2,5,7-9,12-14,17,25,28H,3-4,6,10-11H2,(H,26,31)(H,29,30)(H,32,33)/t14-,17?/m0/s1
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200 -9.04n/an/an/an/an/a7.422



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM259
PNG
((S)-4-[(4-Hydroxy-3-methyl-benzenesulfonylamino)-m...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN2O9S3/c26-18-4-2-1-3-15(18)12-38-13-21(30)19(9-23(31)32)28-24(33)22-7-14(11-39-22)10-27-40(36,37)16-5-6-20(29)17(8-16)25(34)35/h1-8,11,19,27,29H,9-10,12-13H2,(H,28,33)(H,31,32)(H,34,35)/t19-/m0/s1
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210 -9.10n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM265
PNG
((S)-5-({5-[1-Carboxymethyl-5-(2-chloro-phenyl)-2-o...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C26H26N2O9S2/c29-21-11-10-18(13-19(21)26(34)35)39(36,37)27-15-17-9-12-23(38-17)25(33)28-20(14-24(31)32)22(30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,20,27,29H,4,7-8,14-15H2,(H,28,33)(H,31,32)(H,34,35)/t20-/m0/s1
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240 -9.02n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM257
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN2O9S3/c26-19-4-2-1-3-14(19)11-38-13-22(30)20(9-23(31)32)28-24(33)15-7-16(39-12-15)10-27-40(36,37)17-5-6-21(29)18(8-17)25(34)35/h1-8,12,20,27,29H,9-11,13H2,(H,28,33)(H,31,32)(H,34,35)/t20-/m0/s1
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270 -8.95n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM248
PNG
(5-({5-[1-Carboxymethyl-2-(7-methyl-benzoxazol-2-yl...)
Show SMILES COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1
Show InChI InChI=1S/C25H21N3O11S2/c1-38-18-4-2-3-15-22(18)39-24(28-15)21(32)16(10-20(30)31)27-23(33)19-8-5-12(40-19)11-26-41(36,37)13-6-7-17(29)14(9-13)25(34)35/h2-9,16,26,29H,10-11H2,1H3,(H,27,33)(H,30,31)(H,34,35)/t16-/m0/s1
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290 -8.91n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM260
PNG
((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-4...)
Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C18H18N2O9S2/c1-9-4-11(30-16(9)17(25)20-10(8-21)5-15(23)24)7-19-31(28,29)12-2-3-14(22)13(6-12)18(26)27/h2-4,6,8,10,19,22H,5,7H2,1H3,(H,20,25)(H,23,24)(H,26,27)/t10-/m0/s1
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290 -8.91n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10209
PNG
(5-[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C31H33ClN2O9S2/c32-25-12-5-4-10-21(25)18-44-19-28(36)26(17-29(37)38)34-30(39)23(20-8-2-1-3-9-20)11-6-7-15-33-45(42,43)22-13-14-27(35)24(16-22)31(40)41/h1-5,8-10,12-14,16,23,26,33,35H,6-7,11,15,17-19H2,(H,34,39)(H,37,38)(H,40,41)/t23?,26-/m0/s1
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300n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10213
PNG
(5-({[5-(1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbam...)
Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1
Show InChI InChI=1S/C21H24N2O9S2/c1-2-3-15(20(28)23-12(11-24)8-19(26)27)18-7-4-13(33-18)10-22-34(31,32)14-5-6-17(25)16(9-14)21(29)30/h4-7,9,11-12,15,22,25H,2-3,8,10H2,1H3,(H,23,28)(H,26,27)(H,29,30)/t12-,15?/m0/s1
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300n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10214
PNG
(5-({[5-({[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoy...)
Show SMILES OC(=O)C[C@H](NC(=O)C(c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)c1ccccc1)C=O
Show InChI InChI=1S/C24H22N2O9S2/c27-13-15(10-21(29)30)26-23(31)22(14-4-2-1-3-5-14)20-9-6-16(36-20)12-25-37(34,35)17-7-8-19(28)18(11-17)24(32)33/h1-9,11,13,15,22,25,28H,10,12H2,(H,26,31)(H,29,30)(H,32,33)/t15-,22?/m0/s1
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300n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM252
PNG
((3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-3-...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H23ClN4O8S3/c27-19-7-2-1-4-16(19)13-40-14-21(32)20(11-23(33)34)29-25(35)22-9-8-17(41-22)12-28-42(37,38)18-6-3-5-15(10-18)24-30-26(36)39-31-24/h1-10,20,28H,11-14H2,(H,29,35)(H,33,34)(H,30,31,36)/t20-/m0/s1
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310 -8.87n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM247
PNG
(5-[(5-{1-Carboxymethyl-2-[5-(2,6-dichloro-phenyl)-...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H19Cl2N3O10S2/c27-15-2-1-3-16(28)22(15)19-11-29-25(41-19)23(35)17(9-21(33)34)31-24(36)20-7-4-12(42-20)10-30-43(39,40)13-5-6-18(32)14(8-13)26(37)38/h1-8,11,17,30,32H,9-10H2,(H,31,36)(H,33,34)(H,37,38)/t17-/m0/s1
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380 -8.75n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM251
PNG
((S)-3-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C25H23ClN2O8S3/c26-19-7-2-1-4-16(19)13-37-14-21(29)20(11-23(30)31)28-24(32)22-9-8-17(38-22)12-27-39(35,36)18-6-3-5-15(10-18)25(33)34/h1-10,20,27H,11-14H2,(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1
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400 -8.72n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM276
PNG
((3S)-4-oxo-3-[(6-{[3-(5-oxo-4,5-dihydro-1,2,4-oxad...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)nc1)C=O
Show InChI InChI=1S/C19H17N5O8S/c25-10-14(7-16(26)27)22-18(28)12-4-5-13(20-8-12)9-21-33(30,31)15-3-1-2-11(6-15)17-23-19(29)32-24-17/h1-6,8,10,14,21H,7,9H2,(H,22,28)(H,26,27)(H,23,24,29)/t14-/m0/s1
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400 -8.72n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10207
PNG
(5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O
Show InChI InChI=1S/C24H26N2O8/c27-14-17(13-21(29)30)26-23(32)18(15-6-2-1-3-7-15)8-4-5-11-25-22(31)16-9-10-20(28)19(12-16)24(33)34/h1-3,6-7,9-10,12,14,17-18,28H,4-5,8,11,13H2,(H,25,31)(H,26,32)(H,29,30)(H,33,34)/t17-,18?/m0/s1
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400n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals



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


Bioorg Med Chem Lett 13: 3651-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.024
BindingDB Entry DOI: 10.7270/Q2MK6B3T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM279
PNG
(5-{[(5-{[(2S)-3-carboxy-1-(7-methoxy-1,3-benzoxazo...)
Show SMILES COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1
Show InChI InChI=1S/C26H22N4O11S/c1-40-20-4-2-3-17-23(20)41-25(30-17)22(34)18(10-21(32)33)29-24(35)13-5-6-14(27-11-13)12-28-42(38,39)15-7-8-19(31)16(9-15)26(36)37/h2-9,11,18,28,31H,10,12H2,1H3,(H,29,35)(H,32,33)(H,36,37)/t18-/m0/s1
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410 -8.71n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM275
PNG
((3S)-4-oxo-3-[(6-{[3-(1H-1,2,3,4-tetrazol-5-yl)ben...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nnn[nH]2)nc1)C=O
Show InChI InChI=1S/C18H17N7O6S/c26-10-14(7-16(27)28)21-18(29)12-4-5-13(19-8-12)9-20-32(30,31)15-3-1-2-11(6-15)17-22-24-25-23-17/h1-6,8,10,14,20H,7,9H2,(H,21,29)(H,27,28)(H,22,23,24,25)/t14-/m0/s1
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440 -8.67n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM278
PNG
(5-{[(5-{[(2S)-3-carboxy-1-[5-(2,6-dichlorophenyl)-...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H20Cl2N4O10S/c28-17-2-1-3-18(29)23(17)21-12-31-26(43-21)24(37)19(9-22(35)36)33-25(38)13-4-5-14(30-10-13)11-32-44(41,42)15-6-7-20(34)16(8-15)27(39)40/h1-8,10,12,19,32,34H,9,11H2,(H,33,38)(H,35,36)(H,39,40)/t19-/m0/s1
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450 -8.65n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM274
PNG
((3S)-3-[(6-{[3-(ethanesulfonyl)benzene]sulfonamido...)
Show SMILES CC(=O)NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C19H20N4O9S2/c1-12(25)23-34(31,32)17-4-2-3-16(8-17)33(29,30)21-10-14-6-5-13(9-20-14)19(28)22-15(11-24)7-18(26)27/h2-6,8-9,11,15,21H,7,10H2,1H3,(H,22,28)(H,23,25)(H,26,27)/t15-/m0/s1
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Article
PubMed
470 -8.63n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
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Ligand-Target Pair
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