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Assay Detail

CHEMBL4233137

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

Binding
Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl})-amino-2-methyl-pyrimid-6-yl)piperazinyl]-ethyl]thiourea binding to human PKMYT1 kinase doamin expressed in Escherichia coli BL21 after 120 mins by fluorescence polarization asay
36
Total Activities
18
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Publication

Identification of PKMYT1 inhibitors by screening the GSK published protein kinase inhibitor set I and II.
Platzer C, Najjar A, Rohe A, Erdmann F, Sippl W, Schmidt M.
Bioorg Med Chem (2018) 26 : 4014 -4024
PubMed 29941193 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 18 6.21 8.70
IC50 18 5.92 7.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL49120 PD-0166285 1.0 2 8.70
CHEMBL106772 2 8.09
CHEMBL5416410 DASATINIB 4.0 2 7.14
CHEMBL587965 2 6.98
CHEMBL545839 2 6.75
CHEMBL582038 2 6.70
CHEMBL288441 BOSUTINIB 4.0 2 6.52
CHEMBL4241193 2 6.33
CHEMBL218088 GW435821X 2 6.28
CHEMBL237347 GW559768X 2 6.23
CHEMBL1976040 ADAVOSERTIB 2.0 2 6.22
CHEMBL251549 GW782612X 2 5.80
CHEMBL574058 2 5.57
CHEMBL217092 SARACATINIB 3.0 2 5.28
CHEMBL230911 GSK-625137A 2 5.24
CHEMBL4246519 2 5.21
CHEMBL579952 2 4.83
CHEMBL7917 TYRPHOSTIN AG-1478 2 4.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL49120 PD-0166285 Ki = 2.0 nM 8.70
CHEMBL106772 Ki = 8.1 nM 8.09
CHEMBL49120 PD-0166285 IC50 = 31.1 nM 7.51
CHEMBL106772 IC50 = 55.0 nM 7.26
CHEMBL5416410 DASATINIB Ki = 73.0 nM 7.14
CHEMBL587965 Ki = 104.3 nM 6.98
CHEMBL587965 IC50 = 151.0 nM 6.82
CHEMBL545839 Ki = 179.9 nM 6.75
CHEMBL582038 Ki = 200.9 nM 6.70
CHEMBL5416410 DASATINIB IC50 = 202.0 nM 6.70
CHEMBL288441 BOSUTINIB Ki = 304.0 nM 6.52
CHEMBL582038 IC50 = 332.0 nM 6.48
CHEMBL545839 IC50 = 352.0 nM 6.45
CHEMBL4241193 Ki = 461.9 nM 6.33
CHEMBL218088 GW435821X Ki = 521.5 nM 6.28
CHEMBL237347 GW559768X Ki = 588.0 nM 6.23
CHEMBL1976040 ADAVOSERTIB Ki = 600.9 nM 6.22
CHEMBL288441 BOSUTINIB IC50 = 704.0 nM 6.15
CHEMBL237347 GW559768X IC50 = 775.0 nM 6.11
CHEMBL4241193 IC50 = 787.0 nM 6.10
CHEMBL218088 GW435821X IC50 = 876.0 nM 6.06
CHEMBL1976040 ADAVOSERTIB IC50 = 1340.0 nM 5.87
CHEMBL251549 GW782612X Ki = 1600.0 nM 5.80
CHEMBL251549 GW782612X IC50 = 2440.0 nM 5.61
CHEMBL574058 IC50 = 2700.0 nM 5.57
CHEMBL217092 SARACATINIB Ki = 5200.0 nM 5.28
CHEMBL230911 GSK-625137A Ki = 5810.0 nM 5.24
CHEMBL4246519 Ki = 6150.0 nM 5.21
CHEMBL4246519 IC50 = 9430.0 nM 5.03
CHEMBL217092 SARACATINIB IC50 = 10000.0 nM 5.00
CHEMBL230911 GSK-625137A IC50 = 11430.0 nM 4.94
CHEMBL574058 Ki = 13500.0 nM 4.87
CHEMBL579952 Ki = 14740.0 nM 4.83
CHEMBL579952 IC50 = 18880.0 nM 4.72
CHEMBL7917 TYRPHOSTIN AG-1478 Ki = 26200.0 nM 4.58
CHEMBL7917 TYRPHOSTIN AG-1478 IC50 = 55000.0 nM 4.26