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Assay Detail

CHEMBL1785541

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Binding
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 to 15 mins by DCIP dye-based assay
ChEMBL ↗
59
Total Activities
59
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

Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice.
Gujjar R, El Mazouni F, White KL, White J, Creason S, Shackleford DM, Deng X, Charman WN, Bathurst I, Burrows J, Floyd DM, Matthews D, Buckner FS, Charman SA, Phillips MA, Rathod PK.
J Med Chem (2011) 54 : 3935 -3949
PubMed 21517059 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 59 5.95 7.46

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1784574 — — 1 7.46
CHEMBL1784578 — — 1 7.19
CHEMBL1784561 — — 1 7.11
CHEMBL1784580 — — 1 7.05
CHEMBL1784567 — — 1 6.89
CHEMBL1784713 — — 1 6.77
CHEMBL1784577 — — 1 6.72
CHEMBL600255 — — 1 6.66
CHEMBL586157 — — 1 6.66
CHEMBL1784556 — — 1 6.55
CHEMBL1784562 — — 1 6.38
CHEMBL1784589 — — 1 6.30
CHEMBL1784576 — — 1 6.27
CHEMBL1784593 — — 1 6.27
CHEMBL1784575 — — 1 6.26
CHEMBL1784566 — — 1 6.21
CHEMBL1714424 — — 1 6.21
CHEMBL1784590 — — 1 6.21
CHEMBL1784594 — — 1 6.20
CHEMBL1784595 — — 1 6.17
CHEMBL1784711 — — 1 6.11
CHEMBL1784563 — — 1 6.10
CHEMBL582694 — — 1 6.09
CHEMBL1784557 — — 1 6.09
CHEMBL1784555 — — 1 6.00
CHEMBL1784573 — — 1 6.00
CHEMBL1784564 — — 1 5.96
CHEMBL1784591 — — 1 5.92
CHEMBL1784717 — — 1 5.85
CHEMBL1784579 — — 1 5.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1784574 — IC50 = 35.0 nM 7.46
CHEMBL1784578 — IC50 = 64.0 nM 7.19
CHEMBL1784561 — IC50 = 78.0 nM 7.11
CHEMBL1784580 — IC50 = 90.0 nM 7.05
CHEMBL1784567 — IC50 = 130.0 nM 6.89
CHEMBL1784713 — IC50 = 170.0 nM 6.77
CHEMBL1784577 — IC50 = 190.0 nM 6.72
CHEMBL586157 — IC50 = 220.0 nM 6.66
CHEMBL600255 — IC50 = 220.0 nM 6.66
CHEMBL1784556 — IC50 = 280.0 nM 6.55
CHEMBL1784562 — IC50 = 420.0 nM 6.38
CHEMBL1784589 — IC50 = 500.0 nM 6.30
CHEMBL1784593 — IC50 = 540.0 nM 6.27
CHEMBL1784576 — IC50 = 540.0 nM 6.27
CHEMBL1784575 — IC50 = 550.0 nM 6.26
CHEMBL1784566 — IC50 = 610.0 nM 6.21
CHEMBL1784590 — IC50 = 610.0 nM 6.21
CHEMBL1714424 — IC50 = 610.0 nM 6.21
CHEMBL1784594 — IC50 = 630.0 nM 6.20
CHEMBL1784595 — IC50 = 670.0 nM 6.17
CHEMBL1784711 — IC50 = 780.0 nM 6.11
CHEMBL1784563 — IC50 = 800.0 nM 6.10
CHEMBL582694 — IC50 = 820.0 nM 6.09
CHEMBL1784557 — IC50 = 820.0 nM 6.09
CHEMBL1784573 — IC50 = 1000.0 nM 6.00
CHEMBL1784555 — IC50 = 990.0 nM 6.00
CHEMBL1784564 — IC50 = 1100.0 nM 5.96
CHEMBL1784591 — IC50 = 1200.0 nM 5.92
CHEMBL1784717 — IC50 = 1400.0 nM 5.85
CHEMBL1784579 — IC50 = 1600.0 nM 5.80
CHEMBL1784714 — IC50 = 1700.0 nM 5.77
CHEMBL1784712 — IC50 = 1700.0 nM 5.77
CHEMBL1784565 — IC50 = 2500.0 nM 5.60
CHEMBL1784715 — IC50 = 3200.0 nM 5.50
CHEMBL1784569 — IC50 = 3500.0 nM 5.46
CHEMBL1784558 — IC50 = 4200.0 nM 5.38
CHEMBL1784592 — IC50 = 4600.0 nM 5.34
CHEMBL1784568 — IC50 = 5400.0 nM 5.27
CHEMBL1784710 — IC50 = 8600.0 nM 5.07
CHEMBL1784708 — IC50 = 15000.0 nM 4.82
CHEMBL1784581 — IC50 = 21000.0 nM 4.68
CHEMBL1784559 — IC50 = 24000.0 nM 4.62
CHEMBL1784709 — IC50 = 26000.0 nM 4.58
CHEMBL1784572 — IC50 = 44000.0 nM 4.36
CHEMBL1784588 — IC50 = 58000.0 nM 4.24
CHEMBL1784706 — IC50 > 100000.0 nM -
CHEMBL1784571 — IC50 > 50000.0 nM -
CHEMBL1784716 — IC50 > 100000.0 nM -
CHEMBL1784570 — IC50 > 100000.0 nM -
CHEMBL1784560 — IC50 > 50000.0 nM -