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Assay Detail

CHEMBL4706923

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

Binding
Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HT-29
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Serine/threonine-protein kinase Chk1 (CHEMBL4630)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
Osborne JD,Matthews TP,McHardy T,Proisy N,Cheung KM,Lainchbury M,Brown N,Walton MI,Eve PD,Boxall KJ,Hayes A,Henley AT,Valenti MR,De Haven Brandon AK,Box G,Jamin Y,Robinson SP,Westwood IM,van Montfort RL,Leonard PM,Lamers MB,Reader JC,Aherne GW,Raynaud FI,Eccles SA,Garrett MD,Collins I
J Med Chem (2016) 59 : 5221 -5237
PubMed 27167172 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.45 7.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4753307 1 7.92
CHEMBL4742233 1 7.89
CHEMBL4789854 1 7.68
CHEMBL4169078 SRA-737 1.0 1 7.52
CHEMBL4790962 1 7.22
CHEMBL4784718 1 7.14
CHEMBL4792322 1 7.00
CHEMBL4740741 1 7.00
CHEMBL4741023 1 6.92
CHEMBL4784549 1 6.89
CHEMBL4754960 1 6.80
CHEMBL4793954 1 6.75
CHEMBL4797851 1 6.62
CHEMBL4752718 1 6.55
CHEMBL4782664 1 6.51
CHEMBL4745794 1 6.41
CHEMBL4789820 1 6.40
CHEMBL4797888 1 6.36
CHEMBL4791739 1 6.36
CHEMBL4755864 1 6.30
CHEMBL4742116 1 6.22
CHEMBL4778934 1 6.22
CHEMBL4796773 1 6.20
CHEMBL4740662 1 6.10
CHEMBL1928692 1 6.08
CHEMBL4782716 1 6.07
CHEMBL4761664 1 6.05
CHEMBL4740334 1 6.00
CHEMBL4799304 1 5.96
CHEMBL4798119 1 5.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4753307 IC50 = 12.0 nM 7.92
CHEMBL4742233 IC50 = 13.0 nM 7.89
CHEMBL4789854 IC50 = 21.0 nM 7.68
CHEMBL4169078 SRA-737 IC50 = 30.0 nM 7.52
CHEMBL4790962 IC50 = 60.0 nM 7.22
CHEMBL4784718 IC50 = 72.0 nM 7.14
CHEMBL4792322 IC50 = 100.0 nM 7.00
CHEMBL4740741 IC50 = 100.0 nM 7.00
CHEMBL4741023 IC50 = 120.0 nM 6.92
CHEMBL4784549 IC50 = 129.0 nM 6.89
CHEMBL4754960 IC50 = 157.0 nM 6.80
CHEMBL4793954 IC50 = 180.0 nM 6.75
CHEMBL4797851 IC50 = 240.0 nM 6.62
CHEMBL4752718 IC50 = 280.0 nM 6.55
CHEMBL4782664 IC50 = 310.0 nM 6.51
CHEMBL4745794 IC50 = 390.0 nM 6.41
CHEMBL4789820 IC50 = 400.0 nM 6.40
CHEMBL4791739 IC50 = 440.0 nM 6.36
CHEMBL4797888 IC50 = 440.0 nM 6.36
CHEMBL4755864 IC50 = 500.0 nM 6.30
CHEMBL4742116 IC50 = 600.0 nM 6.22
CHEMBL4778934 IC50 = 600.0 nM 6.22
CHEMBL4796773 IC50 = 630.0 nM 6.20
CHEMBL4740662 IC50 = 800.0 nM 6.10
CHEMBL1928692 IC50 = 825.0 nM 6.08
CHEMBL4782716 IC50 = 850.0 nM 6.07
CHEMBL4761664 IC50 = 900.0 nM 6.05
CHEMBL4740334 IC50 = 1000.0 nM 6.00
CHEMBL4799304 IC50 = 1100.0 nM 5.96
CHEMBL4798119 IC50 = 1500.0 nM 5.82
CHEMBL4751342 IC50 = 1600.0 nM 5.80
CHEMBL4752942 IC50 = 2500.0 nM 5.60
CHEMBL4756720 IC50 = 2500.0 nM 5.60
CHEMBL4743137 IC50 = 3100.0 nM 5.51
CHEMBL4760882 IC50 = 4000.0 nM 5.40
CHEMBL4750202 IC50 = 4400.0 nM 5.36
CHEMBL4745956 IC50 > 10000.0 nM -