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Assay Detail

CHEMBL4010117

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
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
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Publication

Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
Scott JD, DeMong DE, Greshock TJ, Basu K, Dai X, Harris J, Hruza A, Li SW, Lin SI, Liu H, Macala MK, Hu Z, Mei H, Zhang H, Walsh P, Poirier M, Shi ZC, Xiao L, Agnihotri G, Baptista MA, Columbus J, Fell MJ, Hyde LA, Kuvelkar R, Lin Y, Mirescu C, Morrow JA, Yin Z, Zhang X, Zhou X, Chang RK, Embrey MW, Sanders JM, Tiscia HE, Drolet RE, Kern JT, Sur SM, Renger JJ, Bilodeau MT, Kennedy ME, Parker EM, Stamford AW, Nargund R, McCauley JA, Miller MW.
J Med Chem (2017) 60 : 2983 -2992
PubMed 28245354 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 7.55 8.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4098877 MLi-2 1 8.19
CHEMBL4066983 1 8.00
CHEMBL4093321 1 7.96
CHEMBL4065697 1 7.89
CHEMBL4100904 1 7.85
CHEMBL4065525 1 7.85
CHEMBL4093185 1 7.66
CHEMBL4075195 1 7.16
CHEMBL4082856 1 7.12
CHEMBL4075961 1 7.04
CHEMBL3928102 1 7.02
CHEMBL4103352 1 6.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4098877 MLi-2 IC50 = 6.4 nM 8.19
CHEMBL4066983 IC50 = 10.0 nM 8.00
CHEMBL4093321 IC50 = 11.0 nM 7.96
CHEMBL4065697 IC50 = 13.0 nM 7.89
CHEMBL4100904 IC50 = 14.0 nM 7.85
CHEMBL4065525 IC50 = 14.0 nM 7.85
CHEMBL4093185 IC50 = 22.0 nM 7.66
CHEMBL4075195 IC50 = 69.0 nM 7.16
CHEMBL4082856 IC50 = 76.0 nM 7.12
CHEMBL4075961 IC50 = 91.0 nM 7.04
CHEMBL3928102 IC50 = 96.0 nM 7.02
CHEMBL4103352 IC50 = 128.0 nM 6.89