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Assay Detail

CHEMBL3130226

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Binding
Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH
ChEMBL ↗
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Staphylococcus aureus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydrofolate reductase (CHEMBL1681620) ↗
Type SINGLE PROTEIN
Organism Staphylococcus aureus

Publication

Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines.
Lam T, Hilgers MT, Cunningham ML, Kwan BP, Nelson KJ, Brown-Driver V, Ong V, Trzoss M, Hough G, Shaw KJ, Finn J.
J Med Chem (2014) 57 : 651 -668
PubMed 24428639 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 29 9.91 11.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3128015 — — 1 11.00
CHEMBL3128018 — — 1 10.96
CHEMBL3128014 — — 1 10.96
CHEMBL3128026 — — 1 10.92
CHEMBL3128017 — — 1 10.72
CHEMBL3127912 — — 1 10.66
CHEMBL3127909 — — 1 10.62
CHEMBL3127914 — — 1 10.59
CHEMBL3128013 — — 1 10.52
CHEMBL3128019 — — 1 10.32
CHEMBL134561 ICLAPRIM 3.0 1 10.10
CHEMBL3128022 — — 1 10.02
CHEMBL3127916 — — 1 9.85
CHEMBL3128016 — — 1 9.80
CHEMBL3127919 — — 1 9.70
CHEMBL3127913 — — 1 9.59
CHEMBL3127915 — — 1 9.47
CHEMBL3127910 — — 1 9.44
CHEMBL3127917 — — 1 9.22
CHEMBL3128027 — — 1 8.96
CHEMBL22 TRIMETHOPRIM 4.0 1 8.92
CHEMBL3128020 — — 1 8.77
CHEMBL3127911 — — 1 8.40
CHEMBL3127918 — — 1 8.38
CHEMBL3128025 — — 1 -
CHEMBL3128024 — — 1 -
CHEMBL3128023 — — 1 -
CHEMBL3128021 — — 1 -
CHEMBL34259 METHOTREXATE 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3128015 — Ki = 0.01 nM 11.00
CHEMBL3128018 — Ki = 0.011 nM 10.96
CHEMBL3128014 — Ki = 0.011 nM 10.96
CHEMBL3128026 — Ki = 0.012 nM 10.92
CHEMBL3128017 — Ki = 0.019 nM 10.72
CHEMBL3127912 — Ki = 0.022 nM 10.66
CHEMBL3127909 — Ki = 0.024 nM 10.62
CHEMBL3127914 — Ki = 0.026 nM 10.59
CHEMBL3128013 — Ki = 0.03 nM 10.52
CHEMBL3128019 — Ki = 0.048 nM 10.32
CHEMBL134561 ICLAPRIM Ki = 0.08 nM 10.10
CHEMBL3128022 — Ki = 0.096 nM 10.02
CHEMBL3127916 — Ki = 0.14 nM 9.85
CHEMBL3128016 — Ki = 0.16 nM 9.80
CHEMBL3127919 — Ki = 0.2 nM 9.70
CHEMBL3127913 — Ki = 0.26 nM 9.59
CHEMBL3127915 — Ki = 0.34 nM 9.47
CHEMBL3127910 — Ki = 0.36 nM 9.44
CHEMBL3127917 — Ki = 0.6 nM 9.22
CHEMBL3128027 — Ki = 1.1 nM 8.96
CHEMBL22 TRIMETHOPRIM Ki = 1.2 nM 8.92
CHEMBL3128020 — Ki = 1.7 nM 8.77
CHEMBL3127911 — Ki = 4.0 nM 8.40
CHEMBL3127918 — Ki = 4.2 nM 8.38
CHEMBL3128025 — Ki = 0.005 nM -
CHEMBL3128024 — Ki = 0.008 nM -
CHEMBL3128023 — Ki = 0.007 nM -
CHEMBL3128021 — Ki = 0.002 nM -
CHEMBL34259 METHOTREXATE Ki <= 0.004 nM -