isatin sulfonamide 34 [PMID: 11384246] [Ligand Id: 6515] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL439753
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466]
ChEMBL Inhibitory activity against caspase-1 B 5.3 pKi >5000 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibitory activity against caspase 1 using Ac-YVAD-AMC substrate B 5 pIC50 >10000 nM IC50 J Med Chem (2005) 48: 7637-7647 [PMID:16302804]
ChEMBL Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrate B 5.3 pEC50 >5000 nM EC50 J Med Chem (2008) 51: 8057-8067 [PMID:19049429]
Caspase 2/Caspase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4884] [GtoPdb: 1618] [UniProtKB: P42575]
ChEMBL Inhibitory activity against caspase-2 B 5.4 pKi 4000 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
Caspase 3/Caspase-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2334] [GtoPdb: 1619] [UniProtKB: P42574]
ChEMBL Inhibitory activity against caspase-3 B 8.92 pKi 1.2 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibition of human recombinant caspase 3 assessed as accumulation of fluorogenic product by fluorometric assay B 7.84 pIC50 14.5 nM IC50 J Med Chem (2009) 52: 2188-2191 [PMID:19326941]
ChEMBL Inhibition of caspase3 B 7.91 pIC50 12.3 nM IC50 Bioorg Med Chem (2012) 20: 5410-5415 [PMID:22503362]
ChEMBL Inhibitory activity against caspase 3 using Ac-DEVD-AMC substrate B 7.91 pIC50 12.2 nM IC50 J Med Chem (2005) 48: 7637-7647 [PMID:16302804]
ChEMBL Inhibition of recombinant human caspase-3 B 8.6 pIC50 2.5 nM IC50 J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by microplate fluorescence assay B 5.44 pEC50 3670 nM EC50 Bioorg Med Chem Lett (2011) 21: 2192-2197 [PMID:21441025]
ChEMBL Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrate B 7.38 pEC50 41.8 nM EC50 J Med Chem (2008) 51: 8057-8067 [PMID:19049429]
Caspase 4/Caspase-4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2226] [GtoPdb: 1620] [UniProtKB: P49662]
ChEMBL Inhibitory activity against caspase-4 B 5.3 pKi >5000 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
Caspase 6/Caspase-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308] [GtoPdb: 1622] [UniProtKB: P55212]
ChEMBL Inhibitory activity against Caspase-6 B 5.3 pKi >5000 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibitory activity against caspase 6 using Ac-VEID-AMC substrate B 5.3 pIC50 >5000 nM IC50 J Med Chem (2005) 48: 7637-7647 [PMID:16302804]
ChEMBL Inhibition of human recombinant caspase 6 assessed as accumulation of fluorogenic product by fluorometric assay B 5.3 pIC50 >5000 nM IC50 J Med Chem (2009) 52: 2188-2191 [PMID:19326941]
ChEMBL Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrate B 5.3 pEC50 >5000 nM EC50 J Med Chem (2008) 51: 8057-8067 [PMID:19049429]
Caspase 7/Caspase-7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3468] [GtoPdb: 1623] [UniProtKB: P55210]
GtoPdb - - 8.2 pKi 6 nM Ki J Med Chem (2001) 44: 2015-26 [PMID:11384246]
ChEMBL Inhibitory activity against Caspase-7 B 8.22 pKi 6 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibitory activity against caspase 7 using Ac-DEVD-AMC substrate B 7.55 pIC50 28 nM IC50 J Med Chem (2005) 48: 7637-7647 [PMID:16302804]
ChEMBL Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate B 7.53 pEC50 29.4 nM EC50 J Med Chem (2008) 51: 8057-8067 [PMID:19049429]
Caspase 8/Caspase-8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3776] [GtoPdb: 1624] [UniProtKB: Q14790]
ChEMBL Inhibitory activity against Caspase-8 B 5.3 pKi >5000 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]
ChEMBL Inhibitory activity against caspase 8 using Ac-IETD-AMC substrate B 4.3 pIC50 >50000 nM IC50 J Med Chem (2005) 48: 7637-7647 [PMID:16302804]
ChEMBL Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate B 5.3 pEC50 >5000 nM EC50 J Med Chem (2008) 51: 8057-8067 [PMID:19049429]
Caspase 9/Caspase-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2273] [GtoPdb: 1625] [UniProtKB: P55211]
GtoPdb - - 6.92 pKi 120 nM Ki J Med Chem (2001) 44: 2015-26 [PMID:11384246]
ChEMBL Inhibitory activity against Caspase-9 B 6.92 pKi 120 nM Ki J Med Chem (2001) 44: 2015-2026 [PMID:11384246]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]