MLKL compound 1 [Ligand Id: 9513] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL188381 (GW806742X)
  • mixed lineage kinase domain like pseudokinase/Mixed lineage kinase domain-like protein in Human [ChEMBL: CHEMBL1938217] [GtoPdb: 2106] [UniProtKB: Q8NB16]
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  • aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
mixed lineage kinase domain like pseudokinase/Mixed lineage kinase domain-like protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1938217] [GtoPdb: 2106] [UniProtKB: Q8NB16]
GtoPdb Surface plasmon resonance (SPR) assay. - 5.03 pKd 9300 nM Kd Proc Natl Acad Sci USA (2014) 111: 15072-7 [PMID:25288762]
ChEMBL Binding affinity to MLKL (unknown origin) B 5.03 pKd 9300 nM Kd J Med Chem (2020) 63: 1490-1510 [PMID:31622096]
GtoPdb Inhibition of TSQ-induced necroptosis in cellular assays. - 7 pIC50 100 nM IC50 Proc Natl Acad Sci USA (2014) 111: 15072-7 [PMID:25288762]
aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
ChEMBL Further kinetic evaluation of compounds supplied by Sanofi against AuroraA within a BIAcore3000 instrument B 4.9 pKd 12461.05 nM Kd K4DD drug target binding kinetics data
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibitory concentration against human VEGFR2 kinase B 8.7 pIC50 2 nM IC50 Bioorg Med Chem Lett (2005) 15: 3519-3523 [PMID:15990302]
GtoPdb - - 8.7 pIC50 2 nM IC50 Bioorg Med Chem Lett (2005) 15: 3519-23 [PMID:15990302]

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]