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Assay Detail

CHEMBL4024931

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

Binding
Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
49
Total Activities
49
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

Target

Tyrosine-protein kinase BTK (CHEMBL5251)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Liang Q, Chen Y, Yu K, Chen C, Zhang S, Wang A, Wang W, Wu H, Liu X, Wang B, Wang L, Hu Z, Wang W, Ren T, Zhang S, Liu Q, Yun CH, Liu J.
Eur J Med Chem (2017) 131 : 107 -125
PubMed 28315597 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 49 6.88 8.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4085868 1 8.24
CHEMBL4077123 1 8.15
CHEMBL3301625 SPEBRUTINIB 2.0 1 8.05
CHEMBL2216827 1 8.02
CHEMBL4077064 1 7.92
CHEMBL1873475 IBRUTINIB 4.0 1 7.92
CHEMBL4096207 1 7.78
CHEMBL4074840 1 7.72
CHEMBL4076543 1 7.68
CHEMBL4088999 1 7.68
CHEMBL3290142 1 7.60
CHEMBL4059850 1 7.50
CHEMBL4066223 1 7.47
CHEMBL4101519 1 7.39
CHEMBL4067226 1 7.24
CHEMBL4077618 1 7.20
CHEMBL4066966 1 7.19
CHEMBL4071818 1 7.17
CHEMBL4064326 1 7.12
CHEMBL4093610 1 7.07
CHEMBL4088485 1 7.05
CHEMBL4074645 1 6.94
CHEMBL4076040 1 6.90
CHEMBL4081428 1 6.79
CHEMBL4105457 1 6.73
CHEMBL4093800 1 6.71
CHEMBL4081768 1 6.68
CHEMBL4063526 1 6.64
CHEMBL4103674 1 6.61
CHEMBL4094515 1 6.56

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4085868 IC50 = 5.8 nM 8.24
CHEMBL4077123 IC50 = 7.0 nM 8.15
CHEMBL3301625 SPEBRUTINIB IC50 = 9.0 nM 8.05
CHEMBL2216827 IC50 = 9.5 nM 8.02
CHEMBL4077064 IC50 = 12.0 nM 7.92
CHEMBL1873475 IBRUTINIB IC50 = 12.0 nM 7.92
CHEMBL4096207 IC50 = 16.5 nM 7.78
CHEMBL4074840 IC50 = 19.0 nM 7.72
CHEMBL4076543 IC50 = 21.0 nM 7.68
CHEMBL4088999 IC50 = 21.0 nM 7.68
CHEMBL3290142 IC50 = 25.0 nM 7.60
CHEMBL4059850 IC50 = 32.0 nM 7.50
CHEMBL4066223 IC50 = 34.0 nM 7.47
CHEMBL4101519 IC50 = 41.0 nM 7.39
CHEMBL4067226 IC50 = 57.0 nM 7.24
CHEMBL4077618 IC50 = 63.0 nM 7.20
CHEMBL4066966 IC50 = 65.0 nM 7.19
CHEMBL4071818 IC50 = 68.0 nM 7.17
CHEMBL4064326 IC50 = 76.0 nM 7.12
CHEMBL4093610 IC50 = 86.0 nM 7.07
CHEMBL4088485 IC50 = 89.0 nM 7.05
CHEMBL4074645 IC50 = 114.0 nM 6.94
CHEMBL4076040 IC50 = 127.0 nM 6.90
CHEMBL4081428 IC50 = 163.0 nM 6.79
CHEMBL4105457 IC50 = 187.0 nM 6.73
CHEMBL4093800 IC50 = 197.0 nM 6.71
CHEMBL4081768 IC50 = 210.0 nM 6.68
CHEMBL4063526 IC50 = 231.0 nM 6.64
CHEMBL4103674 IC50 = 244.0 nM 6.61
CHEMBL4094515 IC50 = 273.0 nM 6.56
CHEMBL4071893 IC50 = 282.0 nM 6.55
CHEMBL4068683 IC50 = 365.0 nM 6.44
CHEMBL4079595 IC50 = 596.0 nM 6.22
CHEMBL4069186 IC50 = 667.0 nM 6.18
CHEMBL4102259 IC50 = 1191.0 nM 5.92
CHEMBL4077998 IC50 = 1261.0 nM 5.90
CHEMBL4078155 IC50 = 1426.0 nM 5.85
CHEMBL4075774 IC50 = 1697.0 nM 5.77
CHEMBL4072911 IC50 = 2610.0 nM 5.58
CHEMBL4093722 IC50 = 2946.0 nM 5.53
CHEMBL4062079 IC50 = 3187.0 nM 5.50
CHEMBL4069348 IC50 = 3736.0 nM 5.43
CHEMBL4098885 IC50 = 4996.0 nM 5.30
CHEMBL4097628 IC50 > 10000.0 nM -
CHEMBL4074757 IC50 > 10000.0 nM -
CHEMBL4103968 IC50 > 10000.0 nM -
CHEMBL4066147 IC50 > 10000.0 nM -
CHEMBL4101439 IC50 > 10000.0 nM -
CHEMBL4067041 IC50 > 10000.0 nM -