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Assay Detail

CHEMBL4031820

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

Binding
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate after 2 hrs by TR-FRET assay
ChEMBL ↗
39
Total Activities
26
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Leucine-rich repeat serine/threonine-protein kinase 2 (CHEMBL1075104) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
Williamson DS, Smith GP, Acheson-Dossang P, Bedford ST, Chell V, Chen IJ, Daechsel JCA, Daniels Z, David L, Dokurno P, Hentzer M, Herzig MC, Hubbard RE, Moore JD, Murray JB, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Thirstrup K, Wang Y, Christensen KV.
J Med Chem (2017) 60 : 8945 -8962
PubMed 29023112 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 6.71 8.52
Ki 13 7.73 10.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3969077 — — 2 10.22
CHEMBL3961632 — — 2 9.30
CHEMBL3896115 — — 2 8.52
CHEMBL3912951 — — 2 8.40
CHEMBL3979676 — — 2 8.22
CHEMBL4068861 — — 2 7.89
CHEMBL4077186 — — 2 7.64
CHEMBL4088961 — — 2 7.64
CHEMBL3933899 — — 1 7.57
CHEMBL4084769 — — 1 7.55
CHEMBL3928607 — — 2 7.51
CHEMBL3961481 — — 1 7.44
CHEMBL4101218 — — 1 7.37
CHEMBL4092521 — — 1 7.36
CHEMBL4100265 — — 1 7.17
CHEMBL3939513 — — 1 7.00
CHEMBL4063115 — — 1 6.99
CHEMBL4075407 — — 2 6.91
CHEMBL4077034 — — 1 6.75
CHEMBL4065198 — — 1 6.69
CHEMBL3919862 — — 1 6.67
CHEMBL4092537 — — 2 6.65
CHEMBL4076248 — — 2 6.11
CHEMBL4075970 — — 2 5.52
CHEMBL4066167 — — 1 -
CHEMBL4060616 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3969077 — Ki = 0.06 nM 10.22
CHEMBL3961632 — Ki = 0.5 nM 9.30
CHEMBL3896115 — Ki = 3.0 nM 8.52
CHEMBL3969077 — IC50 = 3.0 nM 8.52
CHEMBL3912951 — Ki = 4.0 nM 8.40
CHEMBL3979676 — Ki = 6.0 nM 8.22
CHEMBL4068861 — Ki = 13.0 nM 7.89
CHEMBL3961632 — IC50 = 21.0 nM 7.68
CHEMBL4077186 — Ki = 23.0 nM 7.64
CHEMBL4088961 — Ki = 23.0 nM 7.64
CHEMBL3933899 — IC50 = 27.0 nM 7.57
CHEMBL4084769 — IC50 = 28.0 nM 7.55
CHEMBL3928607 — Ki = 31.0 nM 7.51
CHEMBL3961481 — IC50 = 36.0 nM 7.44
CHEMBL4101218 — IC50 = 43.0 nM 7.37
CHEMBL4092521 — IC50 = 44.0 nM 7.36
CHEMBL4100265 — IC50 = 67.0 nM 7.17
CHEMBL3939513 — IC50 = 99.0 nM 7.00
CHEMBL4063115 — IC50 = 102.0 nM 6.99
CHEMBL4075407 — Ki = 124.0 nM 6.91
CHEMBL3896115 — IC50 = 140.0 nM 6.85
CHEMBL3912951 — IC50 = 170.0 nM 6.77
CHEMBL4077034 — IC50 = 180.0 nM 6.75
CHEMBL4065198 — IC50 = 205.0 nM 6.69
CHEMBL3919862 — IC50 = 215.0 nM 6.67
CHEMBL4092537 — Ki = 225.0 nM 6.65
CHEMBL3979676 — IC50 = 247.0 nM 6.61
CHEMBL4068861 — IC50 = 487.0 nM 6.31
CHEMBL4088961 — IC50 = 784.0 nM 6.11
CHEMBL4076248 — Ki = 783.0 nM 6.11
CHEMBL4077186 — IC50 = 954.0 nM 6.02
CHEMBL3928607 — IC50 = 1279.0 nM 5.89
CHEMBL4075970 — Ki = 3026.0 nM 5.52
CHEMBL4075407 — IC50 = 4135.0 nM 5.38
CHEMBL4092537 — IC50 = 7531.0 nM 5.12
CHEMBL4076248 — IC50 = 26163.0 nM 4.58
CHEMBL4060616 — IC50 - — -
CHEMBL4075970 — IC50 = 101080.0 nM -
CHEMBL4066167 — IC50 - — -