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Assay Detail

CHEMBL4833342

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

Binding
Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using DL-dihydroorotic acid as substrate and Q0 as coenzyme by DCIP based 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

Dihydroorotate dehydrogenase (quinone), mitochondrial (CHEMBL1966)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Luo X, Cai G, Guo Y, Gao C, Huang W, Zhang Z, Lu H, Liu K, Chen J, Xiong X, Lei J, Zhou X, Wang J, Liu Y.
J Med Chem (2021) 64 : 13918 -13932
PubMed 34516133 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 5.39 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL38434 BREQUINAR 2.0 1 8.30
CHEMBL4854072 1 7.13
CHEMBL4854950 1 6.41
CHEMBL4865354 1 6.14
CHEMBL973 TERIFLUNOMIDE 4.0 1 5.96
CHEMBL132623 ASCOCHLORIN 1 5.89
CHEMBL4857846 1 5.80
CHEMBL560024 ILICICOLIN C 1 5.72
CHEMBL4846020 1 5.43
CHEMBL4850971 1 5.41
CHEMBL4854654 1 5.33
CHEMBL4845837 1 5.30
CHEMBL133046 ASCOFURANONE 1 5.27
CHEMBL4852487 1 5.19
CHEMBL4845865 1 5.10
CHEMBL4874137 1 5.03
CHEMBL550973 ILICICOLIN F 1 4.96
CHEMBL4861975 1 4.96
CHEMBL4846724 1 4.89
CHEMBL4877116 1 4.82
CHEMBL4859267 1 4.70
CHEMBL4854893 1 4.52
CHEMBL4866258 1 4.51
CHEMBL4847651 1 4.50
CHEMBL4870556 1 4.47
CHEMBL4851177 1 4.38
CHEMBL4875611 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL38434 BREQUINAR IC50 = 5.0 nM 8.30
CHEMBL4854072 IC50 = 74.0 nM 7.13
CHEMBL4854950 IC50 = 390.0 nM 6.41
CHEMBL4865354 IC50 = 720.0 nM 6.14
CHEMBL973 TERIFLUNOMIDE IC50 = 1100.0 nM 5.96
CHEMBL132623 ASCOCHLORIN IC50 = 1300.0 nM 5.89
CHEMBL4857846 IC50 = 1600.0 nM 5.80
CHEMBL560024 ILICICOLIN C IC50 = 1900.0 nM 5.72
CHEMBL4846020 IC50 = 3700.0 nM 5.43
CHEMBL4850971 IC50 = 3900.0 nM 5.41
CHEMBL4854654 IC50 = 4700.0 nM 5.33
CHEMBL4845837 IC50 = 5000.0 nM 5.30
CHEMBL133046 ASCOFURANONE IC50 = 5400.0 nM 5.27
CHEMBL4852487 IC50 = 6500.0 nM 5.19
CHEMBL4845865 IC50 = 7900.0 nM 5.10
CHEMBL4874137 IC50 = 9300.0 nM 5.03
CHEMBL550973 ILICICOLIN F IC50 = 11000.0 nM 4.96
CHEMBL4861975 IC50 = 11000.0 nM 4.96
CHEMBL4846724 IC50 = 13000.0 nM 4.89
CHEMBL4877116 IC50 = 15000.0 nM 4.82
CHEMBL4859267 IC50 = 20000.0 nM 4.70
CHEMBL4854893 IC50 = 30000.0 nM 4.52
CHEMBL4866258 IC50 = 31000.0 nM 4.51
CHEMBL4847651 IC50 = 32000.0 nM 4.50
CHEMBL4870556 IC50 = 34000.0 nM 4.47
CHEMBL4851177 IC50 = 42000.0 nM 4.38
CHEMBL4875611 IC50 > 60000.0 nM -