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Assay Detail

CHEMBL4605389

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Binding
Inhibition of N-terminal His6-tagged Plasmodium falciparum DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay
ChEMBL ↗
71
Total Activities
71
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
Kokkonda S, Deng X, White KL, El Mazouni F, White J, Shackleford DM, Katneni K, Chiu FCK, Barker H, McLaren J, Crighton E, Chen G, Angulo-Barturen I, Jimenez-Diaz MB, Ferrer S, Huertas-Valentin L, Martinez-Martinez MS, Lafuente-Monasterio MJ, Chittimalla R, Shahi SP, Wittlin S, Waterson D, Burrows JN, Matthews D, Tomchick D, Rathod PK, Palmer MJ, Charman SA, Phillips MA.
J Med Chem (2020) 63 : 4929 -4956
PubMed 32248693 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 71 6.48 7.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4644619 — — 1 7.77
CHEMBL4639806 — — 1 7.75
CHEMBL4636879 — — 1 7.75
CHEMBL4633246 — — 1 7.70
CHEMBL1956285 DSM-265 2.0 1 7.52
CHEMBL4636553 — — 1 7.48
CHEMBL4639907 — — 1 7.46
CHEMBL4633770 — — 1 7.38
CHEMBL4645764 — — 1 7.38
CHEMBL4635646 — — 1 7.36
CHEMBL4639663 — — 1 7.36
CHEMBL4643360 — — 1 7.32
CHEMBL4643370 — — 1 7.30
CHEMBL4639489 — — 1 7.27
CHEMBL4644974 — — 1 7.14
CHEMBL4649411 — — 1 7.13
CHEMBL4634454 — — 1 7.10
CHEMBL4635012 — — 1 7.01
CHEMBL4642145 — — 1 7.00
CHEMBL4642065 — — 1 6.96
CHEMBL4641948 — — 1 6.96
CHEMBL4636157 — — 1 6.92
CHEMBL4645475 — — 1 6.89
CHEMBL4638098 — — 1 6.85
CHEMBL4638564 — — 1 6.85
CHEMBL4634831 — — 1 6.77
CHEMBL4643327 — — 1 6.68
CHEMBL600689 — — 1 6.57
CHEMBL4646287 — — 1 6.52
CHEMBL4633356 — — 1 6.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4644619 — IC50 = 17.0 nM 7.77
CHEMBL4639806 — IC50 = 18.0 nM 7.75
CHEMBL4636879 — IC50 = 18.0 nM 7.75
CHEMBL4633246 — IC50 = 20.0 nM 7.70
CHEMBL1956285 DSM-265 IC50 = 30.0 nM 7.52
CHEMBL4636553 — IC50 = 33.0 nM 7.48
CHEMBL4639907 — IC50 = 35.0 nM 7.46
CHEMBL4633770 — IC50 = 42.0 nM 7.38
CHEMBL4645764 — IC50 = 42.0 nM 7.38
CHEMBL4635646 — IC50 = 44.0 nM 7.36
CHEMBL4639663 — IC50 = 44.0 nM 7.36
CHEMBL4643360 — IC50 = 48.0 nM 7.32
CHEMBL4643370 — IC50 = 50.0 nM 7.30
CHEMBL4639489 — IC50 = 54.0 nM 7.27
CHEMBL4644974 — IC50 = 72.0 nM 7.14
CHEMBL4649411 — IC50 = 74.0 nM 7.13
CHEMBL4634454 — IC50 = 80.0 nM 7.10
CHEMBL4635012 — IC50 = 98.0 nM 7.01
CHEMBL4642145 — IC50 = 100.0 nM 7.00
CHEMBL4642065 — IC50 = 110.0 nM 6.96
CHEMBL4641948 — IC50 = 110.0 nM 6.96
CHEMBL4636157 — IC50 = 120.0 nM 6.92
CHEMBL4645475 — IC50 = 130.0 nM 6.89
CHEMBL4638098 — IC50 = 140.0 nM 6.85
CHEMBL4638564 — IC50 = 140.0 nM 6.85
CHEMBL4634831 — IC50 = 170.0 nM 6.77
CHEMBL4643327 — IC50 = 210.0 nM 6.68
CHEMBL600689 — IC50 = 270.0 nM 6.57
CHEMBL4646287 — IC50 = 300.0 nM 6.52
CHEMBL4633356 — IC50 = 300.0 nM 6.52
CHEMBL4635607 — IC50 = 320.0 nM 6.50
CHEMBL4633597 — IC50 = 410.0 nM 6.39
CHEMBL4636829 — IC50 = 440.0 nM 6.36
CHEMBL4646801 — IC50 = 450.0 nM 6.35
CHEMBL4649039 — IC50 = 520.0 nM 6.28
CHEMBL4646226 — IC50 = 570.0 nM 6.24
CHEMBL4633797 — IC50 = 630.0 nM 6.20
CHEMBL4634334 — IC50 = 800.0 nM 6.10
CHEMBL4646919 — IC50 = 830.0 nM 6.08
CHEMBL4636244 — IC50 = 880.0 nM 6.06
CHEMBL4643434 — IC50 = 1100.0 nM 5.96
CHEMBL4636376 — IC50 = 1200.0 nM 5.92
CHEMBL4645972 — IC50 = 1600.0 nM 5.80
CHEMBL4634278 — IC50 = 1800.0 nM 5.75
CHEMBL4639576 — IC50 = 2300.0 nM 5.64
CHEMBL4633302 — IC50 = 2500.0 nM 5.60
CHEMBL4633381 — IC50 = 2800.0 nM 5.55
CHEMBL4641890 — IC50 = 3600.0 nM 5.44
CHEMBL4634603 — IC50 = 4300.0 nM 5.37
CHEMBL4644257 — IC50 = 5700.0 nM 5.24