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Assay Detail

CHEMBL666236

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Binding
Inhibitory activity against dihydrofolate reductase of rat liver
39
Total Activities
39
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Dihydrofolate reductase (CHEMBL2363)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Inhibition of dihydrofolate reductase: structure-activity correlations of quinazolines based upon molecular shape analysis.
Battershell C, Malhotra D, Hopfinger AJ.
J Med Chem (1981) 24 : 812 -818
PubMed 7277385 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 39 6.66 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL268584 1 8.40
CHEMBL7049 1 8.38
CHEMBL7403 1 8.30
CHEMBL7176 1 8.30
CHEMBL6979 1 8.15
CHEMBL157652 1 8.15
CHEMBL355093 1 8.12
CHEMBL6975 1 8.00
CHEMBL6877 1 7.96
CHEMBL6841 1 7.89
CHEMBL6812 1 7.77
CHEMBL414017 1 7.74
CHEMBL7134 1 7.70
CHEMBL266875 1 7.70
CHEMBL268310 1 7.64
CHEMBL266761 1 7.62
CHEMBL6949 1 7.48
CHEMBL269235 1 7.47
CHEMBL268089 WR-159412 1 7.44
CHEMBL266638 1 7.00
CHEMBL6772 1 6.70
CHEMBL427605 1 6.70
CHEMBL266320 1 6.25
CHEMBL6708 1 6.18
CHEMBL7077 1 6.09
CHEMBL267617 1 5.82
CHEMBL268456 1 5.66
CHEMBL6549 1 5.60
CHEMBL6823 1 5.52
CHEMBL267002 1 5.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL268584 IC50 = 3.981 nM 8.40
CHEMBL7049 IC50 = 4.169 nM 8.38
CHEMBL7176 IC50 = 5.012 nM 8.30
CHEMBL7403 IC50 = 5.012 nM 8.30
CHEMBL6979 IC50 = 7.079 nM 8.15
CHEMBL157652 IC50 = 7.079 nM 8.15
CHEMBL355093 IC50 = 7.586 nM 8.12
CHEMBL6975 IC50 = 10.0 nM 8.00
CHEMBL6877 IC50 = 10.96 nM 7.96
CHEMBL6841 IC50 = 12.88 nM 7.89
CHEMBL6812 IC50 = 16.98 nM 7.77
CHEMBL414017 IC50 = 18.2 nM 7.74
CHEMBL7134 IC50 = 19.95 nM 7.70
CHEMBL266875 IC50 = 19.95 nM 7.70
CHEMBL268310 IC50 = 22.91 nM 7.64
CHEMBL266761 IC50 = 23.99 nM 7.62
CHEMBL6949 IC50 = 33.11 nM 7.48
CHEMBL269235 IC50 = 33.88 nM 7.47
CHEMBL268089 WR-159412 IC50 = 36.31 nM 7.44
CHEMBL266638 IC50 = 100.0 nM 7.00
CHEMBL427605 IC50 = 199.53 nM 6.70
CHEMBL6772 IC50 = 199.53 nM 6.70
CHEMBL266320 IC50 = 562.34 nM 6.25
CHEMBL6708 IC50 = 660.69 nM 6.18
CHEMBL7077 IC50 = 812.83 nM 6.09
CHEMBL267617 IC50 = 1513.56 nM 5.82
CHEMBL268456 IC50 = 2187.76 nM 5.66
CHEMBL6549 IC50 = 2511.89 nM 5.60
CHEMBL6823 IC50 = 3019.95 nM 5.52
CHEMBL267002 IC50 = 3981.07 nM 5.40
CHEMBL267928 IC50 = 5248.07 nM 5.28
CHEMBL6950 IC50 = 9332.54 nM 5.03
CHEMBL7275 IC50 = 10000.0 nM 5.00
CHEMBL7246 IC50 = 12022.64 nM 4.92
CHEMBL6693 IC50 = 15135.61 nM 4.82
CHEMBL268354 IC50 = 21877.62 nM 4.66
CHEMBL6885 QUINAZOLINE-2,4,6-TRIAMINE IC50 = 26915.35 nM 4.57
CHEMBL6642 IC50 = 54954.09 nM 4.26
CHEMBL6552 IC50 = 57543.99 nM 4.24