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Assay Detail

CHEMBL4016019

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

Binding
Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite green assay
27
Total Activities
27
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

dCTP pyrophosphatase 1 (CHEMBL3769292)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Piperazin-1-ylpyridazine Derivatives Are a Novel Class of Human dCTP Pyrophosphatase 1 Inhibitors.
Llona-Minguez S, Höglund A, Ghassemian A, Desroses M, Calderón-Montaño JM, Burgos Morón E, Valerie NCK, Wiita E, Almlöf I, Koolmeister T, Mateus A, Cazares-Körner C, Sanjiv K, Homan E, Loseva O, Baranczewski P, Darabi M, Mehdizadeh A, Fayezi S, Jemth AS, Warpman Berglund U, Sigmundsson K, Lundbäck T, Jenmalm Jensen A, Artursson P, Scobie M, Helleday T.
J Med Chem (2017) 60 : 4279 -4292
PubMed 28508636 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 6.62 7.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4072033 1 7.72
CHEMBL4082508 1 7.60
CHEMBL4060634 1 7.47
CHEMBL4075978 1 7.44
CHEMBL4101470 1 7.42
CHEMBL4091797 1 7.39
CHEMBL4098065 1 7.29
CHEMBL4061657 1 7.19
CHEMBL4065129 1 6.77
CHEMBL2315104 1 6.62
CHEMBL4086571 1 6.60
CHEMBL4092758 1 6.59
CHEMBL4080038 1 6.58
CHEMBL4069309 1 6.46
CHEMBL4090348 1 6.30
CHEMBL4084024 1 6.28
CHEMBL4070933 1 5.96
CHEMBL4062310 1 5.77
CHEMBL591796 1 5.55
CHEMBL4073664 1 5.50
CHEMBL463763 TRIPTOLIDE 3.0 1 4.51
CHEMBL4100482 1 -
CHEMBL4065076 1 -
CHEMBL2315103 1 -
CHEMBL4102948 1 -
CHEMBL4085001 1 -
CHEMBL4078027 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4072033 IC50 = 19.0 nM 7.72
CHEMBL4082508 IC50 = 25.0 nM 7.60
CHEMBL4060634 IC50 = 34.0 nM 7.47
CHEMBL4075978 IC50 = 36.0 nM 7.44
CHEMBL4101470 IC50 = 38.0 nM 7.42
CHEMBL4091797 IC50 = 41.0 nM 7.39
CHEMBL4098065 IC50 = 51.0 nM 7.29
CHEMBL4061657 IC50 = 65.0 nM 7.19
CHEMBL4065129 IC50 = 170.0 nM 6.77
CHEMBL2315104 IC50 = 240.0 nM 6.62
CHEMBL4086571 IC50 = 250.0 nM 6.60
CHEMBL4092758 IC50 = 258.0 nM 6.59
CHEMBL4080038 IC50 = 260.0 nM 6.58
CHEMBL4069309 IC50 = 350.0 nM 6.46
CHEMBL4090348 IC50 = 502.0 nM 6.30
CHEMBL4084024 IC50 = 530.0 nM 6.28
CHEMBL4070933 IC50 = 1100.0 nM 5.96
CHEMBL4062310 IC50 = 1700.0 nM 5.77
CHEMBL591796 IC50 = 2800.0 nM 5.55
CHEMBL4073664 IC50 = 3200.0 nM 5.50
CHEMBL463763 TRIPTOLIDE IC50 = 30900.0 nM 4.51
CHEMBL4100482 IC50 > 10000.0 nM -
CHEMBL4065076 IC50 > 10000.0 nM -
CHEMBL2315103 IC50 > 10000.0 nM -
CHEMBL4102948 IC50 > 10000.0 nM -
CHEMBL4085001 IC50 > 10000.0 nM -
CHEMBL4078027 IC50 > 10000.0 nM -