MLI-2 [Ligand Id: 11663] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4098877 (Merck lrrk2 inhibitor-2)
  • CDC like kinase 2/Dual specificity protein kinase CLK2 in Human [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
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  • CDC like kinase 4/Dual specificity protein kinase CLK4 in Human [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
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  • TTK protein kinase/Dual specificity protein kinase TTK in Human [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981]
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  • leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Human [ChEMBL: CHEMBL1075104] [GtoPdb: 2059] [UniProtKB: Q5S007]
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  • mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558]
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  • mitogen-activated protein kinase kinase kinase 5/Mitogen-activated protein kinase kinase kinase 5 in Human [ChEMBL: CHEMBL5285] [GtoPdb: 2080] [UniProtKB: Q99683]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
ChEMBL CLK2 Kinase screen B 6.22 pIC50 605 nM IC50 Data for DCP probe MLi-2
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
ChEMBL CLK4 Kinase screen B 6.65 pIC50 225 nM IC50 Data for DCP probe MLi-2
TTK protein kinase/Dual specificity protein kinase TTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981]
ChEMBL TTK Kinase screen B 6.03 pIC50 935 nM IC50 Data for DCP probe MLi-2
leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075104] [GtoPdb: 2059] [UniProtKB: Q5S007]
GtoPdb Determined in a biochemical assay at physiologically relevant ATP concentration (5mM) to mimic cellular conditions. - 8.19 pIC50 6.4 nM IC50 J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr in presence of 5 mM ATP by TR-FRET assay B 8.19 pIC50 6.4 nM IC50 J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL LRRK2 Biochemical Assay with 5mM ATP B 8.2 pIC50 6.3 nM IC50 Data for DCP probe MLi-2
ChEMBL Inhibition LRRK2 G2019S mutant Ser935 phosphorylation in human SH-SY5Y cells after 90 mins by Western blot analysis B 8.32 pIC50 4.8 nM IC50 J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL Cellular assay monitoring dephosphorylation of pSer935 LRRK2 B 8.46 pIC50 3.5 nM IC50 Data for DCP probe MLi-2
ChEMBL LRRK2 Biochemical Assay B 8.74 pIC50 1.8 nM IC50 Data for DCP probe MLi-2
ChEMBL Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by LanthaScreen assay B 9.1 pIC50 0.8 nM IC50 J Med Chem (2020) 63: 11330-11361 [PMID:32352776]
ChEMBL Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by TR-FRET assay B 9.12 pIC50 0.76 nM IC50 J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL NanoBRET (SGC Frankfurt) B 8.91 pEC50 1.22 nM EC50 Data for DCP probe MLi-2
mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558]
ChEMBL MAP3K14 (NIK) Kinase screen B 6.61 pIC50 244 nM IC50 Data for DCP probe MLi-2
mitogen-activated protein kinase kinase kinase 5/Mitogen-activated protein kinase kinase kinase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5285] [GtoPdb: 2080] [UniProtKB: Q99683]
ChEMBL MAP3K5 (ASK1) Kinase screen B 6.37 pIC50 428 nM IC50 Data for DCP probe MLi-2
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2]
ChEMBL GPCRScan assay: inhibition of Sigma 2 B 5.34 pKi 4600.45 nM Ki Data for DCP probe MLi-2
ChEMBL GPCRScan assay: inhibition of Sigma 2 B 5.34 pKi 4570.88 nM Ki Data for DCP probe MLi-2

ChEMBL data shown on this page come from version 32:

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]