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Assay Detail

CHEMBL4387135

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

ADMET
Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-BP1 as substrate preincubated for 30 mins followed by substrate addition and incubated for 90 mins by TR-FRET assay
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type Sf9
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

CDK1/Cyclin A (CHEMBL3038467)
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bronner SM, Merrick KA, Murray J, Salphati L, Moffat JG, Pang J, Sneeringer CJ, Dompe N, Cyr P, Purkey H, Boenig GL, Li J, Kolesnikov A, Larouche-Gauthier R, Lai KW, Shen X, Aubert-Nicol S, Chen YC, Cheong J, Crawford JJ, Hafner M, Haghshenas P, Jakalian A, Leclerc JP, Lim NK, O'Brien T, Plise EG, Shalan H, Sturino C, Wai J, Xiao Y, Yin J, Zhao L, Gould S, Olivero A, Heffron TP.
Bioorg Med Chem Lett (2019) 29 : 2294 -2301
PubMed 31307887 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 20 6.46 7.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1272326 1 7.62
CHEMBL4564687 1 7.28
CHEMBL4589135 1 7.20
CHEMBL4546255 1 7.16
CHEMBL4560219 1 7.11
CHEMBL4440980 1 7.11
CHEMBL4545456 1 6.96
CHEMBL4529532 1 6.96
CHEMBL4539133 1 6.68
CHEMBL4438971 1 6.57
CHEMBL4466797 1 6.55
CHEMBL4536835 1 6.28
CHEMBL4520067 1 6.20
CHEMBL4561999 1 6.11
CHEMBL4578267 1 6.07
CHEMBL4435669 1 6.01
CHEMBL4588989 1 5.89
CHEMBL4569666 1 5.70
CHEMBL4464950 1 5.28
CHEMBL4447396 1 4.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1272326 Ki = 24.0 nM 7.62
CHEMBL4564687 Ki = 52.0 nM 7.28
CHEMBL4589135 Ki = 63.0 nM 7.20
CHEMBL4546255 Ki = 70.0 nM 7.16
CHEMBL4560219 Ki = 77.0 nM 7.11
CHEMBL4440980 Ki = 78.0 nM 7.11
CHEMBL4545456 Ki = 110.0 nM 6.96
CHEMBL4529532 Ki = 110.0 nM 6.96
CHEMBL4539133 Ki = 210.0 nM 6.68
CHEMBL4438971 Ki = 270.0 nM 6.57
CHEMBL4466797 Ki = 280.0 nM 6.55
CHEMBL4536835 Ki = 530.0 nM 6.28
CHEMBL4520067 Ki = 630.0 nM 6.20
CHEMBL4561999 Ki = 770.0 nM 6.11
CHEMBL4578267 Ki = 860.0 nM 6.07
CHEMBL4435669 Ki = 980.0 nM 6.01
CHEMBL4588989 Ki = 1300.0 nM 5.89
CHEMBL4569666 Ki = 2000.0 nM 5.70
CHEMBL4464950 Ki = 5200.0 nM 5.28
CHEMBL4447396 Ki = 29000.0 nM 4.54