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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with Target = 'Caspase-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-2


(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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PubMed
960 -34.3n/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)

More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10323
PNG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1
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4.00E+3 -31.3n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10318
PNG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1
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4.90E+3 -30.8n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10315
PNG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1
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6.50E+3 -30.1n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(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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9.00E+3 -28.8n/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)

More data for this
Ligand-Target Pair
Caspase-2


(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)

More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10316
PNG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m1/s1
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1.10E+4 -28.8n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(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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1.60E+4 -27.4n/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)

More data for this
Ligand-Target Pair
Caspase-2


(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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2.10E+4 -26.7n/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)

More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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>2.50E+4>-26.7n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10298
PNG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
Show InChI InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2
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>2.50E+4>-26.7n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50200932
PNG
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)
Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human caspase 2


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(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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3.00E+4 -25.8n/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)

More data for this
Ligand-Target Pair
Caspase-2


(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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3.00E+4 -25.8n/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)

More data for this
Ligand-Target Pair
Caspase-2


(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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3.70E+4 -25.3n/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)

More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10297
PNG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
Show InChI InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3
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>5.00E+4>-25.0n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10309
PNG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11-9-7-8(3-4-10(9)13-12(11)16)19(17,18)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15,16)
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>5.00E+4>-25.0n/an/an/an/an/a6.230



GlaxoSmithKline



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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(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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6.40E+4 -23.9n/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)

More data for this
Ligand-Target Pair
Caspase-2


(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>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(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>10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355101
PNG
(CHEMBL1835324)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H41N5O10/c1-14(2)23(31-16(5)36)27(41)32-19(12-21(37)38)26(40)34-24(15(3)4)29(43)35-11-10-17-8-6-7-9-18(17)25(35)28(42)33-20-13-22(39)45-30(20)44/h6-9,14-15,19-20,23-25,30,44H,10-13H2,1-5H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t19-,20-,23-,24-,25-,30?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355111
PNG
(CHEMBL1835210)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C25H39N5O10/c1-11(2)19(26-13(5)31)23(37)27-14(9-17(32)33)21(35)29-20(12(3)4)24(38)30-8-6-7-16(30)22(36)28-15-10-18(34)40-25(15)39/h11-12,14-16,19-20,25,39H,6-10H2,1-5H3,(H,26,31)(H,27,37)(H,28,36)(H,29,35)(H,32,33)/t14-,15-,16-,19-,20-,25?/m0/s1
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n/an/a 41n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355110
PNG
(CHEMBL1835208)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C27H45N5O11/c1-12(2)20(28-14(5)33)24(39)29-15(9-18(34)35)22(37)32-21(13(3)4)25(40)31-17(11-42-27(6,7)8)23(38)30-16-10-19(36)43-26(16)41/h12-13,15-17,20-21,26,41H,9-11H2,1-8H3,(H,28,33)(H,29,39)(H,30,38)(H,31,40)(H,32,37)(H,34,35)/t15-,16-,17-,20-,21-,26?/m0/s1
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n/an/a 41n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355109
PNG
(CHEMBL1835209)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C23H37N5O10/c1-9(2)17(25-12(6)29)22(36)26-13(7-15(30)31)20(34)28-18(10(3)4)21(35)24-11(5)19(33)27-14-8-16(32)38-23(14)37/h9-11,13-14,17-18,23,37H,7-8H2,1-6H3,(H,24,35)(H,25,29)(H,26,36)(H,27,33)(H,28,34)(H,30,31)/t11-,13-,14-,17-,18-,23?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355103
PNG
(CHEMBL1835399)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(C)ccc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-11-16(5)7-8-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1
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CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355094
PNG
(CHEMBL1835317)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H49N5O10/c1-14(2)22(31-16(5)36)26(41)32-18(11-20(37)38)25(40)34-23(15(3)4)28(43)35-10-9-17(13-30(6,7)8)24(35)27(42)33-19-12-21(39)45-29(19)44/h14-15,17-19,22-24,29,44H,9-13H2,1-8H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t17-,18+,19+,22+,23+,24+,29?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355102
PNG
(CHEMBL1835325)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(C)cc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-8-7-16(5)11-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355099
PNG
(CHEMBL1835322)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C26H41N5O10/c1-12(2)20(27-14(5)32)24(38)28-15(10-18(33)34)22(36)30-21(13(3)4)25(39)31-9-7-6-8-17(31)23(37)29-16-11-19(35)41-26(16)40/h12-13,15-17,20-21,26,40H,6-11H2,1-5H3,(H,27,32)(H,28,38)(H,29,37)(H,30,36)(H,33,34)/t15-,16-,17-,20-,21-,26?/m0/s1
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n/an/a 86n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355112
PNG
(CHEMBL1835211)
Show SMILES CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H41N5O11/c1-11(2)19(27-13(5)32)23(37)28-14(9-17(33)34)22(36)30-20(12(3)4)25(39)31-8-7-16(41-6)21(31)24(38)29-15-10-18(35)42-26(15)40/h11-12,14-16,19-21,26,40H,7-10H2,1-6H3,(H,27,32)(H,28,37)(H,29,38)(H,30,36)(H,33,34)/t14-,15-,16-,19-,20-,21-,26?/m0/s1
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n/an/a 108n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355097
PNG
(CHEMBL1835320)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)C1CCCCC1
Show InChI InChI=1S/C31H49N5O10/c1-15(2)24(32-17(5)37)28(42)33-20(13-22(38)39)27(41)35-25(16(3)4)30(44)36-12-11-19(18-9-7-6-8-10-18)26(36)29(43)34-21-14-23(40)46-31(21)45/h15-16,18-21,24-26,31,45H,6-14H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20+,21+,24+,25+,26+,31?/m1/s1
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n/an/a 136n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355098
PNG
(CHEMBL1835321)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C29H39N5O10/c1-13(2)22(30-15(5)35)26(40)31-18(10-20(36)37)25(39)33-23(14(3)4)28(42)34-12-16-8-6-7-9-17(16)24(34)27(41)32-19-11-21(38)44-29(19)43/h6-9,13-14,18-19,22-24,29,43H,10-12H2,1-5H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t18-,19-,22-,23-,24?,29?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355107
PNG
(CHEMBL1835403)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Br)ccc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-10-17(31)6-7-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1
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n/an/a 163n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355093
PNG
(CHEMBL1835316)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](Oc2ncccn2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C29H41N7O11/c1-13(2)21(32-15(5)37)25(42)33-16(11-19(38)39)24(41)35-22(14(3)4)27(44)36-10-7-18(46-29-30-8-6-9-31-29)23(36)26(43)34-17-12-20(40)47-28(17)45/h6,8-9,13-14,16-18,21-23,28,45H,7,10-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t16-,17-,18-,21-,22-,23-,28?/m0/s1
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n/an/a 219n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10284
PNG
(4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tet...)
Show SMILES O=C(CCC(=O)N1CCCCC1)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
Show InChI InChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26)
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n/an/a 231n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10264
PNG
(2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro...)
Show SMILES CC(=O)OC(C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)
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n/an/a 233n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355089
PNG
(CHEMBL1835212)
Show SMILES CC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H45N5O11/c1-12(2)21(29-15(7)34)25(39)30-16(10-19(35)36)24(38)32-22(13(3)4)27(41)33-9-8-18(43-14(5)6)23(33)26(40)31-17-11-20(37)44-28(17)42/h12-14,16-18,21-23,28,42H,8-11H2,1-7H3,(H,29,34)(H,30,39)(H,31,40)(H,32,38)(H,35,36)/t16-,17-,18-,21-,22-,23-,28?/m0/s1
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n/an/a 246n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355090
PNG
(CHEMBL1835313)
Show SMILES CCC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
Show InChI InChI=1S/C29H47N5O11/c1-8-15(6)44-19-9-10-34(24(19)27(41)32-18-12-21(38)45-29(18)43)28(42)23(14(4)5)33-25(39)17(11-20(36)37)31-26(40)22(13(2)3)30-16(7)35/h13-15,17-19,22-24,29,43H,8-12H2,1-7H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t15?,17-,18-,19-,22-,23-,24-,29?/m0/s1
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n/an/a 413n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355095
PNG
(CHEMBL1835318)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccccc1
Show InChI InChI=1S/C31H43N5O10/c1-15(2)24(32-17(5)37)28(42)33-20(13-22(38)39)27(41)35-25(16(3)4)30(44)36-12-11-19(18-9-7-6-8-10-18)26(36)29(43)34-21-14-23(40)46-31(21)45/h6-10,15-16,19-21,24-26,31,45H,11-14H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20+,21+,24+,25+,26+,31?/m1/s1
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n/an/a 441n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355091
PNG
(CHEMBL1835314)
Show SMILES CC(C)CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
Show InChI InChI=1S/C29H47N5O11/c1-13(2)12-44-19-8-9-34(24(19)27(41)32-18-11-21(38)45-29(18)43)28(42)23(15(5)6)33-25(39)17(10-20(36)37)31-26(40)22(14(3)4)30-16(7)35/h13-15,17-19,22-24,29,43H,8-12H2,1-7H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t17-,18-,19-,22-,23-,24-,29?/m0/s1
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n/an/a 453n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355106
PNG
(CHEMBL1835402)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(O)cc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H41N5O11/c1-13(2)23(31-15(5)36)27(42)32-19(11-21(38)39)26(41)34-24(14(3)4)29(44)35-9-8-16-6-7-17(37)10-18(16)25(35)28(43)33-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,37,45H,8-9,11-12H2,1-5H3,(H,31,36)(H,32,42)(H,33,43)(H,34,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1
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n/an/a 459n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10278
PNG
(3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquin...)
Show SMILES ClCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
Show InChI InChI=1S/C12H9ClN2O4/c13-4-3-9(16)14-6-1-2-7-8(5-6)10(17)12(19)15-11(7)18/h1-2,5H,3-4H2,(H,14,16)(H,15,18,19)
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n/an/a 530n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10287
PNG
(Isoquinoline-1,3,4-trione 13f | N-(2-Methoxy-pheny...)
Show SMILES COc1ccccc1NC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
Show InChI InChI=1S/C20H17N3O6/c1-29-15-5-3-2-4-14(15)22-17(25)9-8-16(24)21-11-6-7-12-13(10-11)18(26)20(28)23-19(12)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,27,28)
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n/an/a 537n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355108
PNG
(CHEMBL1835404)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Br)cc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-6-7-17(31)10-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1
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n/an/a 573n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355111
PNG
(CHEMBL1835210)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C25H39N5O10/c1-11(2)19(26-13(5)31)23(37)27-14(9-17(32)33)21(35)29-20(12(3)4)24(38)30-8-6-7-16(30)22(36)28-15-10-18(34)40-25(15)39/h11-12,14-16,19-20,25,39H,6-10H2,1-5H3,(H,26,31)(H,27,37)(H,28,36)(H,29,35)(H,32,33)/t14-,15-,16-,19-,20-,25?/m0/s1
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n/an/a 635n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355092
PNG
(CHEMBL1835315)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](OC2CCCC2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C30H47N5O11/c1-14(2)23(31-16(5)36)27(41)32-18(12-21(37)38)26(40)34-24(15(3)4)29(43)35-11-10-20(45-17-8-6-7-9-17)25(35)28(42)33-19-13-22(39)46-30(19)44/h14-15,17-20,23-25,30,44H,6-13H2,1-5H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t18-,19-,20-,23-,24-,25-,30?/m0/s1
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n/an/a 772n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355098
PNG
(CHEMBL1835321)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C29H39N5O10/c1-13(2)22(30-15(5)35)26(40)31-18(10-20(36)37)25(39)33-23(14(3)4)28(42)34-12-16-8-6-7-9-17(16)24(34)27(41)32-19-11-21(38)44-29(19)43/h6-9,13-14,18-19,22-24,29,43H,10-12H2,1-5H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t18-,19-,22-,23-,24?,29?/m0/s1
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n/an/a 781n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10280
PNG
(3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-y...)
Show SMILES OC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
Show InChI InChI=1S/C13H10N2O6/c16-9(3-4-10(17)18)14-6-1-2-7-8(5-6)11(19)13(21)15-12(7)20/h1-2,5H,3-4H2,(H,14,16)(H,17,18)(H,15,20,21)
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n/an/a 859n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355099
PNG
(CHEMBL1835322)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C26H41N5O10/c1-12(2)20(27-14(5)32)24(38)28-15(10-18(33)34)22(36)30-21(13(3)4)25(39)31-9-7-6-8-17(31)23(37)29-16-11-19(35)41-26(16)40/h12-13,15-17,20-21,26,40H,6-11H2,1-5H3,(H,27,32)(H,28,38)(H,29,37)(H,30,36)(H,33,34)/t15-,16-,17-,20-,21-,26?/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM50355109
PNG
(CHEMBL1835209)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C23H37N5O10/c1-9(2)17(25-12(6)29)22(36)26-13(7-15(30)31)20(34)28-18(10(3)4)21(35)24-11(5)19(33)27-14-8-16(32)38-23(14)37/h9-11,13-14,17-18,23,37H,7-8H2,1-6H3,(H,24,35)(H,25,29)(H,26,36)(H,27,33)(H,28,34)(H,30,31)/t11-,13-,14-,17-,18-,23?/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM10247
PNG
(1,2,3,4-tetrahydroisoquinoline-1,3,4-trione | Isoq...)
Show SMILES O=C1NC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
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n/an/a 1.53E+3n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


Citation and Details
More data for this
Ligand-Target Pair
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