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Assay Detail

CHEMBL661124

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Binding
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)
27
Total Activities
27
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Cyclin-dependent kinase 2 (CHEMBL301)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

General model for estimation of the inhibition of protein kinases using Monte Carlo simulations.
Tominaga Y, Jorgensen WL.
J Med Chem (2004) 47 : 2534 -2549
PubMed 15115396 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 7.45 8.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL409731 1 8.68
CHEMBL1794055 GW589933X 1 8.55
CHEMBL1964244 1 8.37
CHEMBL272667 1 8.34
CHEMBL1964247 1 8.34
CHEMBL1964246 1 8.33
CHEMBL1964242 1 8.25
CHEMBL1964245 1 8.25
CHEMBL1276446 1 8.01
CHEMBL411490 1 7.89
CHEMBL412097 1 7.66
CHEMBL48362 1 7.52
CHEMBL271137 1 7.27
CHEMBL271822 1 7.27
CHEMBL410293 1 7.21
CHEMBL1964243 1 7.12
CHEMBL272414 GW416469X 1 6.51
CHEMBL45477 1 6.51
CHEMBL405042 GW335962X 1 6.44
CHEMBL269850 1 6.16
CHEMBL51709 1 5.89
CHEMBL48614 1 5.40
CHEMBL408131 1 -
CHEMBL410517 1 -
CHEMBL314877 1 -
CHEMBL87527 1 -
CHEMBL85450 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL409731 IC50 = 2.1 nM 8.68
CHEMBL1794055 GW589933X IC50 = 2.8 nM 8.55
CHEMBL1964244 IC50 = 4.3 nM 8.37
CHEMBL272667 IC50 = 4.6 nM 8.34
CHEMBL1964247 IC50 = 4.6 nM 8.34
CHEMBL1964246 IC50 = 4.7 nM 8.33
CHEMBL1964242 IC50 = 5.6 nM 8.25
CHEMBL1964245 IC50 = 5.6 nM 8.25
CHEMBL1276446 IC50 = 9.7 nM 8.01
CHEMBL411490 IC50 = 13.0 nM 7.89
CHEMBL412097 IC50 = 22.0 nM 7.66
CHEMBL48362 IC50 = 30.0 nM 7.52
CHEMBL271137 IC50 = 54.0 nM 7.27
CHEMBL271822 IC50 = 54.0 nM 7.27
CHEMBL410293 IC50 = 61.0 nM 7.21
CHEMBL1964243 IC50 = 75.0 nM 7.12
CHEMBL272414 GW416469X IC50 = 310.0 nM 6.51
CHEMBL45477 IC50 = 310.0 nM 6.51
CHEMBL405042 GW335962X IC50 = 360.0 nM 6.44
CHEMBL269850 IC50 = 690.0 nM 6.16
CHEMBL51709 IC50 = 1280.0 nM 5.89
CHEMBL48614 IC50 = 3970.0 nM 5.40
CHEMBL408131 IC50 > 10000.0 nM -
CHEMBL410517 IC50 > 10000.0 nM -
CHEMBL314877 IC50 > 10000.0 nM -
CHEMBL87527 IC50 > 10000.0 nM -
CHEMBL85450 IC50 > 10000.0 nM -