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Assay Detail

CHEMBL951804

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Binding
Inhibition of CDK2/Cyclin A
ChEMBL ↗
99
Total Activities
53
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation--a case study with CDK2/cyclinA.
Mascarenhas NM, Ghoshal N.
Eur J Med Chem (2008) 43 : 2807 -2818
PubMed 18037537 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 99 6.71 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL192602 — — 2 8.70
CHEMBL190446 — — 2 8.70
CHEMBL490481 — — 2 8.52
CHEMBL489477 — — 2 8.40
CHEMBL490480 — — 2 8.05
CHEMBL192042 — — 2 7.77
CHEMBL191834 — — 2 7.70
CHEMBL114917 — — 2 7.54
CHEMBL115319 — — 2 7.47
CHEMBL191144 — — 2 7.43
CHEMBL114851 — — 2 7.32
CHEMBL419753 — — 2 7.30
CHEMBL115933 — — 2 7.25
CHEMBL325606 — — 2 7.17
CHEMBL115994 — — 2 7.17
CHEMBL324577 — — 2 7.13
CHEMBL365341 — — 2 7.10
CHEMBL366230 — — 2 7.08
CHEMBL323392 — — 2 7.08
CHEMBL115264 — — 2 7.07
CHEMBL112136 — — 2 7.05
CHEMBL324186 — — 2 6.78
CHEMBL192126 — — 2 6.77
CHEMBL430703 — — 2 6.70
CHEMBL112442 — — 2 6.65
CHEMBL324942 — — 2 6.54
CHEMBL189047 — — 2 6.34
CHEMBL333605 — — 2 6.30
CHEMBL420135 — — 2 6.22
CHEMBL115047 — — 2 6.20

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL190446 — IC50 = 2.0 nM 8.70
CHEMBL192602 — IC50 = 2.0 nM 8.70
CHEMBL192602 — IC50 = 2.0 nM 8.70
CHEMBL190446 — IC50 = 2.0 nM 8.70
CHEMBL490481 — IC50 = 3.0 nM 8.52
CHEMBL490481 — IC50 = 2.999 nM 8.52
CHEMBL489477 — IC50 = 4.0 nM 8.40
CHEMBL489477 — IC50 = 3.999 nM 8.40
CHEMBL490480 — IC50 = 9.0 nM 8.05
CHEMBL490480 — IC50 = 8.995 nM 8.05
CHEMBL192042 — IC50 = 16.98 nM 7.77
CHEMBL192042 — IC50 = 17.0 nM 7.77
CHEMBL191834 — IC50 = 20.0 nM 7.70
CHEMBL191834 — IC50 = 20.0 nM 7.70
CHEMBL114917 — IC50 = 28.97 nM 7.54
CHEMBL114917 — IC50 = 29.0 nM 7.54
CHEMBL115319 — IC50 = 33.96 nM 7.47
CHEMBL115319 — IC50 = 34.0 nM 7.47
CHEMBL191144 — IC50 = 37.0 nM 7.43
CHEMBL191144 — IC50 = 36.98 nM 7.43
CHEMBL114851 — IC50 = 47.97 nM 7.32
CHEMBL114851 — IC50 = 48.0 nM 7.32
CHEMBL419753 — IC50 = 50.0 nM 7.30
CHEMBL419753 — IC50 = 50.0 nM 7.30
CHEMBL115933 — IC50 = 55.98 nM 7.25
CHEMBL115933 — IC50 = 56.0 nM 7.25
CHEMBL325606 — IC50 = 68.0 nM 7.17
CHEMBL115994 — IC50 = 67.0 nM 7.17
CHEMBL115994 — IC50 = 66.99 nM 7.17
CHEMBL325606 — IC50 = 68.08 nM 7.17
CHEMBL324577 — IC50 = 73.96 nM 7.13
CHEMBL324577 — IC50 = 74.0 nM 7.13
CHEMBL365341 — IC50 = 80.0 nM 7.10
CHEMBL365341 — IC50 = 79.98 nM 7.10
CHEMBL366230 — IC50 = 83.95 nM 7.08
CHEMBL366230 — IC50 = 84.0 nM 7.08
CHEMBL323392 — IC50 = 83.0 nM 7.08
CHEMBL323392 — IC50 = 82.99 nM 7.08
CHEMBL115264 — IC50 = 85.0 nM 7.07
CHEMBL115264 — IC50 = 84.92 nM 7.07
CHEMBL112136 — IC50 = 89.95 nM 7.05
CHEMBL112136 — IC50 = 90.0 nM 7.05
CHEMBL324186 — IC50 = 164.82 nM 6.78
CHEMBL324186 — IC50 = 165.0 nM 6.78
CHEMBL192126 — IC50 = 169.82 nM 6.77
CHEMBL192126 — IC50 = 170.0 nM 6.77
CHEMBL430703 — IC50 = 199.99 nM 6.70
CHEMBL430703 — IC50 = 200.0 nM 6.70
CHEMBL112442 — IC50 = 224.0 nM 6.65
CHEMBL112442 — IC50 = 223.87 nM 6.65