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Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with Target = 'Caspase-5' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-5


(Homo sapiens (human))
BDBM50200547
PNG
(CHEMBL3949842)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2
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16n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200556
PNG
(CHEMBL3904435)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-8-2-1-7-19(20)18-26-13-15-28(16-14-26)22-17-21(27-9-3-4-10-27)24-23(25-22)29-11-5-6-12-29/h1-2,7-8,17H,3-6,9-16,18H2
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24n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200544
PNG
(CHEMBL3970645)
Show SMILES O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2
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28n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200545
PNG
(CHEMBL3965572)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1
Show InChI InChI=1S/C22H31N7/c1-2-10-27(9-1)20-17-21(25-22(24-20)29-11-3-4-12-29)28-15-13-26(14-16-28)18-19-5-7-23-8-6-19/h5-8,17H,1-4,9-16,18H2
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34n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200543
PNG
(CHEMBL3941088)
Show SMILES COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1
Show InChI InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3
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34n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200549
PNG
(CHEMBL3932441)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H32N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h1-3,8-9,18H,4-7,10-17,19H2
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41n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200550
PNG
(CHEMBL3905486)
Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1
Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2
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47n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200552
PNG
(CHEMBL3898411)
Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2
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48n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200548
PNG
(CHEMBL3895496)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
Show InChI InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2
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59n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200551
PNG
(CHEMBL3978901)
Show SMILES C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2
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59n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200553
PNG
(CHEMBL3898379)
Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3
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81n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200555
PNG
(CHEMBL3984293)
Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2
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99n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200546
PNG
(CHEMBL3939229)
Show SMILES COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1
Show InChI InChI=1S/C24H34N6O/c1-31-21-8-6-7-20(17-21)19-27-13-15-29(16-14-27)23-18-22(28-9-2-3-10-28)25-24(26-23)30-11-4-5-12-30/h6-8,17-18H,2-5,9-16,19H2,1H3
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111n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200554
PNG
(CHEMBL3968765)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2
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135n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM166683
PNG
(U74389G (B9))
Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1
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210n/an/an/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM222
PNG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O9S2/c27-20-4-2-1-3-16(20)13-40-14-23(32)21(10-24(33)34)30-25(35)15-5-6-17(28-11-15)12-29-41(38,39)18-7-8-22(31)19(9-18)26(36)37/h1-9,11,21,29,31H,10,12-14H2,(H,30,35)(H,33,34)(H,36,37)/t21-/m0/s1
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1.10E+4 -28.3n/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-5


(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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1.20E+4 -28.1n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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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2.20E+4 -26.6n/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-5


(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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2.30E+4 -26.5n/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-5


(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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2.40E+4 -26.4n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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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3.20E+4 -25.7n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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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3.60E+4 -25.4n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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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6.30E+4 -24.0n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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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9.80E+4 -22.9n/an/an/an/an/a7.425



Sunesis Pharmaceuticals



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


J Med Chem 45: 5005-22 (2002)


Article DOI: 10.1021/jm020230j
BindingDB Entry DOI: 10.7270/Q2B56GW5
More data for this
Ligand-Target Pair
Caspase-5


(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 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human caspase-5 in neuronal precursor (NT2) cells


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


Article DOI: 10.1016/j.bmcl.2004.12.006
BindingDB Entry DOI: 10.7270/Q2D50MGS
More data for this
Ligand-Target Pair
Caspase-5


(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 0.810n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against casp-5 in neuronal precursor (NT2) cells


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


Article DOI: 10.1016/j.bmcl.2004.12.006
BindingDB Entry DOI: 10.7270/Q2D50MGS
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200547
PNG
(CHEMBL3949842)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2
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n/an/a 71n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200556
PNG
(CHEMBL3904435)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-8-2-1-7-19(20)18-26-13-15-28(16-14-26)22-17-21(27-9-3-4-10-27)24-23(25-22)29-11-5-6-12-29/h1-2,7-8,17H,3-6,9-16,18H2
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n/an/a 105n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200544
PNG
(CHEMBL3970645)
Show SMILES O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2
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n/an/a 123n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200545
PNG
(CHEMBL3965572)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1
Show InChI InChI=1S/C22H31N7/c1-2-10-27(9-1)20-17-21(25-22(24-20)29-11-3-4-12-29)28-15-13-26(14-16-28)18-19-5-7-23-8-6-19/h5-8,17H,1-4,9-16,18H2
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n/an/a 146n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200543
PNG
(CHEMBL3941088)
Show SMILES COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1
Show InChI InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3
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n/an/a 149n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200548
PNG
(CHEMBL3895496)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
Show InChI InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2
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n/an/a 155n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 45 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200549
PNG
(CHEMBL3932441)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H32N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h1-3,8-9,18H,4-7,10-17,19H2
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n/an/a 178n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200550
PNG
(CHEMBL3905486)
Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1
Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2
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n/an/a 205n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200552
PNG
(CHEMBL3898411)
Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2
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n/an/a 210n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200551
PNG
(CHEMBL3978901)
Show SMILES C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2
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n/an/a 254n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200548
PNG
(CHEMBL3895496)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
Show InChI InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2
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n/an/a 254n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200553
PNG
(CHEMBL3898379)
Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3
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n/an/a 350n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200555
PNG
(CHEMBL3984293)
Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2
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n/an/a 430n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM223313
PNG
(Tiaprofenic acid)
Show SMILES CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
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n/an/a 470n/an/an/an/an/an/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200546
PNG
(CHEMBL3939229)
Show SMILES COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1
Show InChI InChI=1S/C24H34N6O/c1-31-21-8-6-7-20(17-21)19-27-13-15-29(16-14-27)23-18-22(28-9-2-3-10-28)25-24(26-23)30-11-4-5-12-30/h6-8,17-18H,2-5,9-16,19H2,1H3
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n/an/a 482n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50426564
PNG
(CHEMBL2323966)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H33ClN4O7S/c1-24(2,3)20(28-21(32)14-7-8-17(26)16(25)12-14)23(34)29-10-5-6-18(29)22(33)27-15(13-19(30)31)9-11-37(4,35)36/h7-9,11-12,15,18,20H,5-6,10,13,26H2,1-4H3,(H,27,33)(H,28,32)(H,30,31)/b11-9+/t15-,18+,20+/m1/s1
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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of caspase-5 (unknown origin)


Citation and Details

Article DOI: 10.1021/ml400021b
BindingDB Entry DOI: 10.7270/Q2736S86
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200554
PNG
(CHEMBL3968765)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2
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n/an/a 586n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50233673
PNG
((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...)
Show SMILES CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
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n/an/a 590n/an/an/an/an/an/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50426565
PNG
(CHEMBL2324340)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O
Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1
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n/an/a 750n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of caspase-5 (unknown origin)


Citation and Details

Article DOI: 10.1021/ml400021b
BindingDB Entry DOI: 10.7270/Q2736S86
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 870n/an/an/an/an/an/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM166683
PNG
(U74389G (B9))
Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM50200548
PNG
(CHEMBL3895496)
Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
Show InChI InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2
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n/an/a 2.56E+3n/an/an/an/an/an/a



DePaul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 5476-5480 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.025
BindingDB Entry DOI: 10.7270/Q2NZ89M0
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (human))
BDBM223312
PNG
(Felbinac)
Show SMILES OC(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
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