Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL4236760

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

Binding
Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate after 60 mins by caliper assay
ChEMBL ↗
36
Total Activities
18
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 7 — Homologous single protein target
Curated By Intermediate

Target

CDK2/Cyclin A2 (CHEMBL3038469) ↗
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N8-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722).
Woodward HL, Innocenti P, Cheung KJ, Hayes A, Roberts J, Henley AT, Faisal A, Mak GW, Box G, Westwood IM, Cronin N, Carter M, Valenti M, De Haven Brandon A, O'Fee L, Saville H, Schmitt J, Burke R, Broccatelli F, van Montfort RLM, Raynaud FI, Eccles SA, Linardopoulos S, Blagg J, Hoelder S.
J Med Chem (2018) 61 : 8226 -8240
PubMed 30199249 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.14 7.80
Ki 18 6.44 8.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3890427 — — 2 8.10
CHEMBL3911532 — — 2 7.37
CHEMBL3932996 — — 2 7.19
CHEMBL4249882 — — 2 7.11
CHEMBL4251352 — — 2 6.89
CHEMBL4240502 — — 2 6.75
CHEMBL3809252 — — 2 6.64
CHEMBL4247121 — — 2 6.33
CHEMBL3924132 BOS-172722 1.0 2 6.29
CHEMBL4248872 — — 2 6.26
CHEMBL3927553 — — 2 6.14
CHEMBL4245639 — — 2 6.09
CHEMBL4239476 — — 2 5.89
CHEMBL3961036 — — 2 5.85
CHEMBL4249151 — — 2 5.85
CHEMBL3900491 — — 2 5.82
CHEMBL4242054 — — 2 4.89
CHEMBL4250961 — — 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3890427 — Ki = 8.0 nM 8.10
CHEMBL3890427 — IC50 = 16.0 nM 7.80
CHEMBL3911532 — Ki = 43.0 nM 7.37
CHEMBL3932996 — Ki = 65.0 nM 7.19
CHEMBL4249882 — Ki = 77.0 nM 7.11
CHEMBL3911532 — IC50 = 86.0 nM 7.07
CHEMBL3932996 — IC50 = 130.0 nM 6.89
CHEMBL4251352 — Ki = 130.0 nM 6.89
CHEMBL4249882 — IC50 = 150.0 nM 6.82
CHEMBL4240502 — Ki = 180.0 nM 6.75
CHEMBL3809252 — Ki = 230.0 nM 6.64
CHEMBL4251352 — IC50 = 250.0 nM 6.60
CHEMBL4240502 — IC50 = 360.0 nM 6.44
CHEMBL3809252 — IC50 = 450.0 nM 6.35
CHEMBL4247121 — Ki = 470.0 nM 6.33
CHEMBL3924132 BOS-172722 Ki = 510.0 nM 6.29
CHEMBL4248872 — Ki = 550.0 nM 6.26
CHEMBL3927553 — Ki = 720.0 nM 6.14
CHEMBL4245639 — Ki = 810.0 nM 6.09
CHEMBL4247121 — IC50 = 940.0 nM 6.03
CHEMBL3924132 BOS-172722 IC50 = 1020.0 nM 5.99
CHEMBL4248872 — IC50 = 1100.0 nM 5.96
CHEMBL4239476 — Ki = 1300.0 nM 5.89
CHEMBL3961036 — Ki = 1400.0 nM 5.85
CHEMBL3927553 — IC50 = 1400.0 nM 5.85
CHEMBL4249151 — Ki = 1400.0 nM 5.85
CHEMBL3900491 — Ki = 1500.0 nM 5.82
CHEMBL4245639 — IC50 = 1600.0 nM 5.80
CHEMBL4239476 — IC50 = 2500.0 nM 5.60
CHEMBL4249151 — IC50 = 2700.0 nM 5.57
CHEMBL3961036 — IC50 = 2800.0 nM 5.55
CHEMBL3900491 — IC50 = 3000.0 nM 5.52
CHEMBL4242054 — Ki = 13000.0 nM 4.89
CHEMBL4242054 — IC50 = 26000.0 nM 4.58
CHEMBL4250961 — Ki > 5000.0 nM -
CHEMBL4250961 — IC50 > 10000.0 nM -