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Assay Detail

CHEMBL4768937

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Binding
Inhibition of Plasmodium falciparum DHFR C59R/S108N/I164L mutant expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis
ChEMBL ↗
49
Total Activities
49
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

Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Kamchonwongpaisan S,Charoensetakul N,Srisuwannaket C,Taweechai S,Rattanajak R,Vanichtanankul J,Vitsupakorn D,Arwon U,Thongpanchang C,Tarnchompoo B,Vilaivan T,Yuthavong Y
Eur J Med Chem (2020) 195 : 112263 -112263
PubMed 32294614 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 49 8.38 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4800362 — — 1 9.52
CHEMBL129788 — — 1 9.40
CHEMBL587606 — — 1 9.40
CHEMBL4780298 — — 1 9.30
CHEMBL4800011 — — 1 9.10
CHEMBL4789322 — — 1 9.05
CHEMBL4795771 — — 1 9.05
CHEMBL4798400 — — 1 9.05
CHEMBL4782529 — — 1 9.05
CHEMBL4780381 — — 1 9.05
CHEMBL4792349 — — 1 8.92
CHEMBL4784738 — — 1 8.85
CHEMBL4784036 — — 1 8.85
CHEMBL4781162 — — 1 8.85
CHEMBL1231612 — — 1 8.85
CHEMBL4781149 — — 1 8.82
CHEMBL4780256 — — 1 8.82
CHEMBL4792035 — — 1 8.80
CHEMBL527468 — — 1 8.77
CHEMBL4793034 — — 1 8.74
CHEMBL4796933 — — 1 8.74
CHEMBL4793581 — — 1 8.70
CHEMBL4778245 — — 1 8.66
CHEMBL4800635 — — 1 8.66
CHEMBL4783968 — — 1 8.64
CHEMBL4799272 — — 1 8.64
CHEMBL4795829 — — 1 8.57
CHEMBL4796554 — — 1 8.55
CHEMBL4799632 — — 1 8.51
CHEMBL4798754 — — 1 8.49

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4800362 — Ki = 0.3 nM 9.52
CHEMBL129788 — Ki = 0.4 nM 9.40
CHEMBL587606 — Ki = 0.4 nM 9.40
CHEMBL4780298 — Ki = 0.5 nM 9.30
CHEMBL4800011 — Ki = 0.8 nM 9.10
CHEMBL4789322 — Ki = 0.9 nM 9.05
CHEMBL4795771 — Ki = 0.9 nM 9.05
CHEMBL4798400 — Ki = 0.9 nM 9.05
CHEMBL4782529 — Ki = 0.9 nM 9.05
CHEMBL4780381 — Ki = 0.9 nM 9.05
CHEMBL4792349 — Ki = 1.2 nM 8.92
CHEMBL4781162 — Ki = 1.4 nM 8.85
CHEMBL1231612 — Ki = 1.4 nM 8.85
CHEMBL4784036 — Ki = 1.4 nM 8.85
CHEMBL4784738 — Ki = 1.4 nM 8.85
CHEMBL4781149 — Ki = 1.5 nM 8.82
CHEMBL4780256 — Ki = 1.5 nM 8.82
CHEMBL4792035 — Ki = 1.6 nM 8.80
CHEMBL527468 — Ki = 1.7 nM 8.77
CHEMBL4793034 — Ki = 1.8 nM 8.74
CHEMBL4796933 — Ki = 1.8 nM 8.74
CHEMBL4793581 — Ki = 2.0 nM 8.70
CHEMBL4778245 — Ki = 2.2 nM 8.66
CHEMBL4800635 — Ki = 2.2 nM 8.66
CHEMBL4783968 — Ki = 2.3 nM 8.64
CHEMBL4799272 — Ki = 2.3 nM 8.64
CHEMBL4795829 — Ki = 2.7 nM 8.57
CHEMBL4796554 — Ki = 2.8 nM 8.55
CHEMBL4799632 — Ki = 3.1 nM 8.51
CHEMBL4798754 — Ki = 3.2 nM 8.49
CHEMBL4781827 — Ki = 4.2 nM 8.38
CHEMBL4797103 — Ki = 5.5 nM 8.26
CHEMBL4798412 — Ki = 5.6 nM 8.25
CHEMBL4791022 — Ki = 6.9 nM 8.16
CHEMBL4798973 — Ki = 8.8 nM 8.06
CHEMBL4796443 — Ki = 11.0 nM 7.96
CHEMBL528489 — Ki = 12.0 nM 7.92
CHEMBL4777058 — Ki = 12.2 nM 7.91
CHEMBL4788495 — Ki = 13.0 nM 7.89
CHEMBL4784378 — Ki = 13.0 nM 7.89
CHEMBL4791594 — Ki = 16.4 nM 7.79
CHEMBL4796828 — Ki = 30.0 nM 7.52
CHEMBL4779476 — Ki = 51.0 nM 7.29
CHEMBL4781350 — Ki = 73.0 nM 7.14
CHEMBL4786084 — Ki = 114.0 nM 6.94
CHEMBL4786930 — Ki = 139.0 nM 6.86
CHEMBL4789860 — Ki = 169.0 nM 6.77
CHEMBL4789386 — Ki = 229.0 nM 6.64
CHEMBL747 CYCLOGUANIL Ki = 285.0 nM 6.54