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Assay Detail

CHEMBL4385482

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

ADMET
Inhibition of full-length recombinant human C-terminal His-tagged SRC cytoplasmic domain expressed in baculovirus expression system using FAM-Srctide peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET Lanthascreen assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Proto-oncogene tyrosine-protein kinase Src (CHEMBL267)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
Schnute ME, Benoit SE, Buchler IP, Caspers N, Grapperhaus ML, Han S, Hotchandani R, Huang N, Hughes RO, Juba BM, Kim KH, Liu E, McCarthy E, Messing D, Miyashiro JS, Mohan S, O'Connell TN, Ohren JF, Parikh MD, Schmidt M, Selness SR, Springer JR, Thanabal V, Trujillo JI, Walker DP, Wan ZK, Withka JM, Wittwer AJ, Wood NL, Xing L, Zapf CW, Douhan J.
ACS Med Chem Lett (2019) 10 : 80 -85
PubMed 30655951 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 5.96 8.38

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4436118 1 8.38
CHEMBL1873475 IBRUTINIB 4.0 1 7.42
CHEMBL4520801 1 7.14
CHEMBL4572913 1 6.43
CHEMBL4456283 1 5.85
CHEMBL4560385 1 5.79
CHEMBL4556666 1 5.50
CHEMBL4548556 1 5.47
CHEMBL4518667 1 5.47
CHEMBL4442732 1 5.39
CHEMBL4440096 1 5.34
CHEMBL4559065 1 5.23
CHEMBL4591391 1 5.19
CHEMBL4456974 1 4.84
CHEMBL4462332 1 -
CHEMBL4469663 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4436118 IC50 = 4.2 nM 8.38
CHEMBL1873475 IBRUTINIB IC50 = 38.0 nM 7.42
CHEMBL4520801 IC50 = 72.0 nM 7.14
CHEMBL4572913 IC50 = 370.0 nM 6.43
CHEMBL4456283 IC50 = 1400.0 nM 5.85
CHEMBL4560385 IC50 = 1630.0 nM 5.79
CHEMBL4556666 IC50 = 3140.0 nM 5.50
CHEMBL4548556 IC50 = 3410.0 nM 5.47
CHEMBL4518667 IC50 = 3350.0 nM 5.47
CHEMBL4442732 IC50 = 4030.0 nM 5.39
CHEMBL4440096 IC50 = 4610.0 nM 5.34
CHEMBL4559065 IC50 = 5840.0 nM 5.23
CHEMBL4591391 IC50 = 6480.0 nM 5.19
CHEMBL4456974 IC50 = 14400.0 nM 4.84
CHEMBL4462332 IC50 > 20000.0 nM -
CHEMBL4469663 IC50 > 20000.0 nM -