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Assay Detail

CHEMBL4331522

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

Binding
Inhibition of Plasmodium falciparum recombinant N-terminal His6-tagged DHODH (159-569 residues) expressed in Escherichia coli BL21(DE3) using DHO as substrate measured every min for 5 mins by DCPI dye-based photometric analysis
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydroorotate dehydrogenase (CHEMBL3486)
Type SINGLE PROTEIN
Organism Plasmodium falciparum

Publication

Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Pippione AC, Sainas S, Goyal P, Fritzson I, Cassiano GC, Giraudo A, Giorgis M, Tavella TA, Bagnati R, Rolando B, Caing-Carlsson R, Costa FTM, Andrade CH, Al-Karadaghi S, Boschi D, Friemann R, Lolli ML.
Eur J Med Chem (2019) 163 : 266 -280
PubMed 30529545 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.03 7.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL475813 1 7.19
CHEMBL4458056 1 5.55
CHEMBL4539458 1 5.28
CHEMBL4517934 1 4.92
CHEMBL4514989 1 4.80
CHEMBL4457827 1 4.72
CHEMBL4451149 1 4.64
CHEMBL4514633 1 4.60
CHEMBL4436588 1 4.46
CHEMBL4464362 1 4.12
CHEMBL4526067 1 -
CHEMBL4437588 1 -
CHEMBL4440085 1 -
CHEMBL4544292 1 -
CHEMBL4569109 1 -
CHEMBL4568957 1 -
CHEMBL4449622 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL475813 IC50 = 65.0 nM 7.19
CHEMBL4458056 IC50 = 2800.0 nM 5.55
CHEMBL4539458 IC50 = 5300.0 nM 5.28
CHEMBL4517934 IC50 = 12000.0 nM 4.92
CHEMBL4514989 IC50 = 16000.0 nM 4.80
CHEMBL4457827 IC50 = 19000.0 nM 4.72
CHEMBL4451149 IC50 = 23000.0 nM 4.64
CHEMBL4514633 IC50 = 25000.0 nM 4.60
CHEMBL4436588 IC50 = 35000.0 nM 4.46
CHEMBL4464362 IC50 = 75000.0 nM 4.12
CHEMBL4526067 IC50 > 250000.0 nM -
CHEMBL4437588 IC50 > 250000.0 nM -
CHEMBL4440085 IC50 > 250000.0 nM -
CHEMBL4544292 IC50 > 250000.0 nM -
CHEMBL4569109 IC50 > 250000.0 nM -
CHEMBL4568957 IC50 > 250000.0 nM -
CHEMBL4449622 IC50 > 250000.0 nM -