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ChEMBL ligand: CHEMBL2178134 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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] | ||||||||
ChEMBL | LabChip Assay: This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In a polypropylene plate, LRRK2, fluorescently-labeled peptide substrate, ATP and test compound were incubated together. Using a LabChip 3000 (Caliper Life Sciences), after the reaction the substrate was separated by capillary electrophoresis into two populations: phosphorylated and unphosphorylated. The relative amounts of each were quantitated by fluorescence intensity. | B | 8.7 | pKi | 2 | nM | Ki | US-8802674-B2. Aminopyrimidine derivatives as LRRK2 modulators (2014) |
GtoPdb | - | - | 9 | pKi | 1 | nM | Ki | J Med Chem (2014) 57: 921-36 [PMID:24354345] |
ChEMBL | Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2012) 55: 9416-9433 [PMID:22985112] |
ChEMBL | Inhibition of LRRK2 G2019S mutant (unknown origin) | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2020) 63: 11330-11361 [PMID:32352776] |
ChEMBL | Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate addition after 2 hrs by TR-FRET assay | B | 7.01 | pIC50 | 97 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4500-4505 [PMID:28802631] |
ChEMBL | Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-LRRKtide substrate addition after 2 hrs by TR-FRET assay | B | 7.34 | pIC50 | 46 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4500-4505 [PMID:28802631] |
ChEMBL | Inhibition of autophosphorylation of LRRK2 in human HEK293 cells | B | 8.05 | pIC50 | 9 | nM | IC50 | J Med Chem (2012) 55: 9416-9433 [PMID:22985112] |
GtoPdb | Inhibition of autophosphorylation in a cellular assay. | - | 8.05 | pIC50 | 9 | nM | IC50 | J Med Chem (2014) 57: 921-36 [PMID:24354345] |
TTK protein kinase in Human [GtoPdb: 2264] [UniProtKB: P33981] | ||||||||
GtoPdb | - | - | 7.28 | pKi | 53 | nM | Ki | J Med Chem (2014) 57: 921-36 [PMID:24354345] |
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]