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Assay Detail

CHEMBL5040108

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

Binding
Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay
26
Total Activities
26
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

Design and Synthesis of Pyrrolo[2,3-<i>d</i>]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
Williamson DS, Smith GP, Mikkelsen GK, Jensen T, Acheson-Dossang P, Badolo L, Bedford ST, Chell V, Chen IJ, Dokurno P, Hentzer M, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Wang Y, Christensen KV.
J Med Chem (2021) 64 : 10312 -10332
PubMed 34184879 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 26 7.30 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5075978 1 9.52
CHEMBL5091909 1 9.40
CHEMBL5086513 1 9.15
CHEMBL5073900 1 8.70
CHEMBL5083563 1 8.70
CHEMBL5090953 1 8.70
CHEMBL5089194 1 8.52
CHEMBL5093192 1 7.96
CHEMBL5073457 1 7.89
CHEMBL5089834 1 7.89
CHEMBL5078779 1 7.85
CHEMBL5092519 1 7.48
CHEMBL5070699 1 7.12
CHEMBL5093047 1 6.92
CHEMBL5083940 1 6.90
CHEMBL5080604 1 6.81
CHEMBL5083394 1 6.67
CHEMBL5092458 1 6.61
CHEMBL5091544 1 6.59
CHEMBL5091290 1 6.36
CHEMBL5089345 1 6.23
CHEMBL5081980 1 6.10
CHEMBL407391 DIMETHYLADENINE 1 5.85
CHEMBL5086355 1 5.70
CHEMBL226345 ADENINE 3.0 1 5.17
CHEMBL388593 1 4.95

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5075978 Ki = 0.3 nM 9.52
CHEMBL5091909 Ki = 0.4 nM 9.40
CHEMBL5086513 Ki = 0.7 nM 9.15
CHEMBL5073900 Ki = 2.0 nM 8.70
CHEMBL5083563 Ki = 2.0 nM 8.70
CHEMBL5090953 Ki = 2.0 nM 8.70
CHEMBL5089194 Ki = 3.0 nM 8.52
CHEMBL5093192 Ki = 11.0 nM 7.96
CHEMBL5073457 Ki = 13.0 nM 7.89
CHEMBL5089834 Ki = 13.0 nM 7.89
CHEMBL5078779 Ki = 14.0 nM 7.85
CHEMBL5092519 Ki = 33.0 nM 7.48
CHEMBL5070699 Ki = 75.0 nM 7.12
CHEMBL5093047 Ki = 120.0 nM 6.92
CHEMBL5083940 Ki = 125.0 nM 6.90
CHEMBL5080604 Ki = 154.0 nM 6.81
CHEMBL5083394 Ki = 212.0 nM 6.67
CHEMBL5092458 Ki = 243.0 nM 6.61
CHEMBL5091544 Ki = 259.0 nM 6.59
CHEMBL5091290 Ki = 439.0 nM 6.36
CHEMBL5089345 Ki = 589.0 nM 6.23
CHEMBL5081980 Ki = 794.0 nM 6.10
CHEMBL407391 DIMETHYLADENINE Ki = 1425.0 nM 5.85
CHEMBL5086355 Ki = 1982.0 nM 5.70
CHEMBL226345 ADENINE Ki = 6715.0 nM 5.17
CHEMBL388593 Ki = 11312.0 nM 4.95