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Assay Detail

CHEMBL1044822

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

Binding
Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as substrate
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

In vitro biological activity and structural analysis of 2,4-diamino-5-(2'-arylpropargyl)pyrimidine inhibitors of Candida albicans.
Paulsen JL, Liu J, Bolstad DB, Smith AE, Priestley ND, Wright DL, Anderson AC.
Bioorg Med Chem (2009) 17 : 4866 -4872
PubMed 19560363 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 5.99 7.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL485959 1 7.24
CHEMBL584390 1 7.22
CHEMBL575223 1 7.06
CHEMBL572485 1 6.75
CHEMBL574335 1 6.70
CHEMBL578424 1 6.68
CHEMBL582843 1 6.54
CHEMBL574329 1 6.40
CHEMBL220159 1 6.40
CHEMBL575217 1 6.12
CHEMBL220936 1 5.94
CHEMBL485962 1 5.93
CHEMBL573880 1 5.92
CHEMBL220937 1 5.91
CHEMBL457725 1 5.90
CHEMBL485960 1 5.89
CHEMBL485961 1 5.89
CHEMBL485569 1 5.87
CHEMBL459177 1 5.87
CHEMBL222461 1 5.86
CHEMBL459178 1 5.86
CHEMBL457905 1 5.85
CHEMBL584391 1 5.85
CHEMBL219889 1 5.84
CHEMBL219624 1 5.84
CHEMBL572717 1 5.80
CHEMBL520358 1 5.77
CHEMBL574559 1 5.64
CHEMBL457906 1 5.56
CHEMBL521055 1 5.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL485959 IC50 = 57.0 nM 7.24
CHEMBL584390 IC50 = 60.0 nM 7.22
CHEMBL575223 IC50 = 88.0 nM 7.06
CHEMBL572485 IC50 = 180.0 nM 6.75
CHEMBL574335 IC50 = 200.0 nM 6.70
CHEMBL578424 IC50 = 210.0 nM 6.68
CHEMBL582843 IC50 = 290.0 nM 6.54
CHEMBL574329 IC50 = 400.0 nM 6.40
CHEMBL220159 IC50 = 400.0 nM 6.40
CHEMBL575217 IC50 = 750.0 nM 6.12
CHEMBL220936 IC50 = 1160.0 nM 5.94
CHEMBL485962 IC50 = 1180.0 nM 5.93
CHEMBL573880 IC50 = 1200.0 nM 5.92
CHEMBL220937 IC50 = 1220.0 nM 5.91
CHEMBL457725 IC50 = 1250.0 nM 5.90
CHEMBL485960 IC50 = 1300.0 nM 5.89
CHEMBL485961 IC50 = 1280.0 nM 5.89
CHEMBL459177 IC50 = 1360.0 nM 5.87
CHEMBL485569 IC50 = 1360.0 nM 5.87
CHEMBL222461 IC50 = 1380.0 nM 5.86
CHEMBL459178 IC50 = 1380.0 nM 5.86
CHEMBL457905 IC50 = 1420.0 nM 5.85
CHEMBL584391 IC50 = 1410.0 nM 5.85
CHEMBL219889 IC50 = 1460.0 nM 5.84
CHEMBL219624 IC50 = 1460.0 nM 5.84
CHEMBL572717 IC50 = 1580.0 nM 5.80
CHEMBL520358 IC50 = 1700.0 nM 5.77
CHEMBL574559 IC50 = 2300.0 nM 5.64
CHEMBL457906 IC50 = 2770.0 nM 5.56
CHEMBL521055 IC50 = 3200.0 nM 5.50
CHEMBL458817 IC50 = 3370.0 nM 5.47
CHEMBL458829 IC50 = 4200.0 nM 5.38
CHEMBL221172 IC50 = 5710.0 nM 5.24
CHEMBL457726 IC50 = 7200.0 nM 5.14
CHEMBL384443 IC50 = 14300.0 nM 4.84
CHEMBL22 TRIMETHOPRIM IC50 = 198000.0 nM -