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Assay Detail

CHEMBL4812656

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

Binding
Inhibition of Plasmodium vivax DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method
ChEMBL ↗
74
Total Activities
65
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium vivax
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda S, El Mazouni F, White J, White KL, Striepen J, Bath J, Schindler KA, Yeo T, Shackleford DM, Mok S, Deni I, Lawong A, Huang A, Chen G, Wang W, Jayaseelan J, Katneni K, Patil R, Saunders J, Shahi SP, Chittimalla R, Angulo-Barturen I, Jiménez-Díaz MB, Wittlin S, Tumwebaze PK, Rosenthal PJ, Cooper RA, Aguiar ACC, Guido RVC, Pereira DB, Mittal N, Winzeler EA, Tomchick DR, Laleu B, Burrows JN, Rathod PK, Fidock DA, Charman SA, Phillips MA.
J Med Chem (2021) 64 : 6085 -6136
PubMed 33876936 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 74 7.33 8.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4850393 — — 2 8.41
CHEMBL4847032 — — 1 8.40
CHEMBL4855152 — — 1 8.27
CHEMBL4847652 — — 1 8.19
CHEMBL4858336 — — 2 8.14
CHEMBL4855268 — — 1 8.11
CHEMBL4871281 — — 2 8.04
CHEMBL4869576 — — 1 8.00
CHEMBL4858118 — — 1 7.96
CHEMBL4878940 — — 1 7.92
CHEMBL4858062 — — 1 7.89
CHEMBL4872774 — — 1 7.89
CHEMBL4633246 — — 1 7.85
CHEMBL4857082 — — 1 7.82
CHEMBL4635646 — — 1 7.82
CHEMBL4877462 — — 1 7.80
CHEMBL4856991 — — 1 7.80
CHEMBL4874425 — — 1 7.77
CHEMBL4861785 — — 1 7.77
CHEMBL4850366 — — 1 7.77
CHEMBL4854490 — — 1 7.70
CHEMBL4855439 — — 1 7.68
CHEMBL4857890 — — 1 7.68
CHEMBL4863410 — — 1 7.64
CHEMBL4851506 — — 1 7.54
CHEMBL4854927 — — 1 7.52
CHEMBL4847990 — — 1 7.52
CHEMBL4846297 — — 1 7.50
CHEMBL4855664 — — 1 7.41
CHEMBL4851832 — — 1 7.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4850393 — IC50 = 3.9 nM 8.41
CHEMBL4847032 — IC50 = 4.0 nM 8.40
CHEMBL4855152 — IC50 = 5.4 nM 8.27
CHEMBL4847652 — IC50 = 6.5 nM 8.19
CHEMBL4858336 — IC50 = 7.2 nM 8.14
CHEMBL4855268 — IC50 = 7.7 nM 8.11
CHEMBL4871281 — IC50 = 9.1 nM 8.04
CHEMBL4869576 — IC50 = 10.0 nM 8.00
CHEMBL4858118 — IC50 = 11.0 nM 7.96
CHEMBL4878940 — IC50 = 12.0 nM 7.92
CHEMBL4858062 — IC50 = 13.0 nM 7.89
CHEMBL4872774 — IC50 = 13.0 nM 7.89
CHEMBL4633246 — IC50 = 14.0 nM 7.85
CHEMBL4857082 — IC50 = 15.0 nM 7.82
CHEMBL4635646 — IC50 = 15.0 nM 7.82
CHEMBL4877462 — IC50 = 16.0 nM 7.80
CHEMBL4856991 — IC50 = 16.0 nM 7.80
CHEMBL4850366 — IC50 = 17.0 nM 7.77
CHEMBL4861785 — IC50 = 17.0 nM 7.77
CHEMBL4874425 — IC50 = 17.0 nM 7.77
CHEMBL4854490 — IC50 = 20.0 nM 7.70
CHEMBL4855439 — IC50 = 21.0 nM 7.68
CHEMBL4857890 — IC50 = 21.0 nM 7.68
CHEMBL4863410 — IC50 = 23.0 nM 7.64
CHEMBL4851506 — IC50 = 29.0 nM 7.54
CHEMBL4854927 — IC50 = 30.0 nM 7.52
CHEMBL4858336 — IC50 = 30.0 nM 7.52
CHEMBL4847990 — IC50 = 30.0 nM 7.52
CHEMBL4846297 — IC50 = 32.0 nM 7.50
CHEMBL4855664 — IC50 = 39.0 nM 7.41
CHEMBL4851832 — IC50 = 40.0 nM 7.40
CHEMBL4846204 — IC50 = 41.0 nM 7.39
CHEMBL4851471 — IC50 = 41.0 nM 7.39
CHEMBL4864218 — IC50 = 43.0 nM 7.37
CHEMBL4850116 — IC50 = 43.0 nM 7.37
CHEMBL4850116 — IC50 = 48.0 nM 7.32
CHEMBL4850950 — IC50 = 48.0 nM 7.32
CHEMBL4878579 — IC50 = 53.0 nM 7.28
CHEMBL4848632 — IC50 = 52.0 nM 7.28
CHEMBL4868204 — IC50 = 58.0 nM 7.24
CHEMBL4855411 — IC50 = 61.0 nM 7.21
CHEMBL4850393 — IC50 = 62.0 nM 7.21
CHEMBL4852452 — IC50 = 63.0 nM 7.20
CHEMBL4876457 — IC50 = 64.0 nM 7.19
CHEMBL4858790 — IC50 = 69.0 nM 7.16
CHEMBL4860823 — IC50 = 69.0 nM 7.16
CHEMBL1956291 — IC50 = 72.0 nM 7.14
CHEMBL4858963 — IC50 = 73.0 nM 7.14
CHEMBL4849154 — IC50 = 74.0 nM 7.13
CHEMBL4869753 — IC50 = 76.0 nM 7.12