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Assay Detail

CHEMBL1961097

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Binding
Inhibition of Plasmodium berghei C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay
ChEMBL ↗
83
Total Activities
83
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Structure-guided lead optimization of triazolopyrimidine-ring substituents identifies potent Plasmodium falciparum dihydroorotate dehydrogenase inhibitors with clinical candidate potential.
Coteron JM, Marco M, Esquivias J, Deng X, White KL, White J, Koltun M, El Mazouni F, Kokkonda S, Katneni K, Bhamidipati R, Shackleford DM, Angulo-Barturen I, Ferrer SB, Jiménez-Díaz MB, Gamo FJ, Goldsmith EJ, Charman WN, Bathurst I, Floyd D, Matthews D, Burrows JN, Rathod PK, Charman SA, Phillips MA.
J Med Chem (2011) 54 : 5540 -5561
PubMed 21696174 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 83 5.62 6.33

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1956473 — — 1 6.33
CHEMBL1956267 — — 1 6.24
CHEMBL1956264 — — 1 6.12
CHEMBL1956469 — — 1 5.92
CHEMBL1956290 — — 1 5.89
CHEMBL1956468 — — 1 5.89
CHEMBL1956265 — — 1 5.85
CHEMBL1956287 — — 1 5.85
CHEMBL1956471 — — 1 5.80
CHEMBL1956283 — — 1 5.77
CHEMBL1956277 — — 1 5.77
CHEMBL1956286 — — 1 5.75
CHEMBL1956470 — — 1 5.72
CHEMBL1956279 — — 1 5.70
CHEMBL1956266 — — 1 5.68
CHEMBL1956262 — — 1 5.64
CHEMBL1738786 — — 1 5.62
CHEMBL1956285 DSM-265 2.0 1 5.60
CHEMBL1956288 — — 1 5.60
CHEMBL1956291 — — 1 5.60
CHEMBL1956278 — — 1 5.58
CHEMBL1956472 — — 1 5.57
CHEMBL1956276 — — 1 5.55
CHEMBL1956295 — — 1 5.48
CHEMBL1956269 — — 1 5.42
CHEMBL1956275 — — 1 5.35
CHEMBL1956268 — — 1 5.35
CHEMBL1956274 — — 1 5.34
CHEMBL1956289 — — 1 5.33
CHEMBL1956302 — — 1 5.32

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1956473 — IC50 = 470.0 nM 6.33
CHEMBL1956267 — IC50 = 570.0 nM 6.24
CHEMBL1956264 — IC50 = 760.0 nM 6.12
CHEMBL1956469 — IC50 = 1200.0 nM 5.92
CHEMBL1956290 — IC50 = 1300.0 nM 5.89
CHEMBL1956468 — IC50 = 1300.0 nM 5.89
CHEMBL1956265 — IC50 = 1400.0 nM 5.85
CHEMBL1956287 — IC50 = 1400.0 nM 5.85
CHEMBL1956471 — IC50 = 1600.0 nM 5.80
CHEMBL1956283 — IC50 = 1700.0 nM 5.77
CHEMBL1956277 — IC50 = 1700.0 nM 5.77
CHEMBL1956286 — IC50 = 1800.0 nM 5.75
CHEMBL1956470 — IC50 = 1900.0 nM 5.72
CHEMBL1956279 — IC50 = 2000.0 nM 5.70
CHEMBL1956266 — IC50 = 2100.0 nM 5.68
CHEMBL1956262 — IC50 = 2300.0 nM 5.64
CHEMBL1738786 — IC50 = 2400.0 nM 5.62
CHEMBL1956285 DSM-265 IC50 = 2500.0 nM 5.60
CHEMBL1956288 — IC50 = 2500.0 nM 5.60
CHEMBL1956291 — IC50 = 2500.0 nM 5.60
CHEMBL1956278 — IC50 = 2600.0 nM 5.58
CHEMBL1956472 — IC50 = 2700.0 nM 5.57
CHEMBL1956276 — IC50 = 2800.0 nM 5.55
CHEMBL1956295 — IC50 = 3300.0 nM 5.48
CHEMBL1956269 — IC50 = 3800.0 nM 5.42
CHEMBL1956275 — IC50 = 4500.0 nM 5.35
CHEMBL1956268 — IC50 = 4500.0 nM 5.35
CHEMBL1956274 — IC50 = 4600.0 nM 5.34
CHEMBL1956289 — IC50 = 4700.0 nM 5.33
CHEMBL1956302 — IC50 = 4800.0 nM 5.32
CHEMBL1956294 — IC50 = 5500.0 nM 5.26
CHEMBL1956272 — IC50 = 15000.0 nM 4.82
CHEMBL1956273 — IC50 = 16000.0 nM 4.80
CHEMBL1956483 — IC50 - — -
CHEMBL1956482 — IC50 - — -
CHEMBL1956481 — IC50 - — -
CHEMBL1956490 — IC50 - — -
CHEMBL1956281 — IC50 - — -
CHEMBL1956284 — IC50 - — -
CHEMBL1955870 — IC50 - — -
CHEMBL1956280 — IC50 - — -
CHEMBL1956271 — IC50 - — -
CHEMBL1956270 — IC50 - — -
CHEMBL1956282 — IC50 - — -
CHEMBL1956260 — IC50 - — -
CHEMBL1956263 — IC50 - — -
CHEMBL1956292 — IC50 - — -
CHEMBL1956293 — IC50 - — -
CHEMBL1956299 — IC50 - — -
CHEMBL1956261 — IC50 - — -