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Assay Detail

CHEMBL1071424

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Binding
Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay
ChEMBL ↗
141
Total Activities
80
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Toxoplasma gondii
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL2425) ↗
Type SINGLE PROTEIN
Organism Toxoplasma gondii

Publication

CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application.
Gangjee A, Lin X, Biondo LR, Queener SF.
Bioorg Med Chem (2010) 18 : 1684 -1701
PubMed 20117005 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 141 5.15 6.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL609914 — — 2 6.80
CHEMBL331986 — — 1 6.77
CHEMBL102303 — — 2 6.30
CHEMBL602913 — — 2 6.09
CHEMBL103474 — — 2 6.08
CHEMBL589525 — — 1 6.06
CHEMBL278013 — — 2 6.00
CHEMBL105020 — — 1 6.00
CHEMBL597962 — — 2 6.00
CHEMBL331314 — — 2 5.99
CHEMBL597583 — — 2 5.99
CHEMBL48648 — — 2 5.96
CHEMBL597383 — — 1 5.91
CHEMBL591930 — — 2 5.89
CHEMBL17873 — — 2 5.85
CHEMBL105523 — — 2 5.82
CHEMBL597961 — — 1 5.80
CHEMBL17323 — — 2 5.77
CHEMBL106070 — — 2 5.77
CHEMBL105759 — — 2 5.75
CHEMBL431257 — — 2 5.66
CHEMBL421594 — — 2 5.62
CHEMBL17431 — — 2 5.59
CHEMBL123892 — — 2 5.57
CHEMBL607583 — — 2 5.57
CHEMBL105323 — — 2 5.52
CHEMBL17453 — — 2 5.47
CHEMBL432136 — — 2 5.41
CHEMBL608428 — — 1 5.39
CHEMBL68439 — — 2 5.37

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL609914 — IC50 = 158.49 nM 6.80
CHEMBL609914 — IC50 = 160.0 nM 6.80
CHEMBL331986 — IC50 = 170.0 nM 6.77
CHEMBL102303 — IC50 = 500.0 nM 6.30
CHEMBL102303 — IC50 = 501.19 nM 6.30
CHEMBL602913 — IC50 = 810.0 nM 6.09
CHEMBL602913 — IC50 = 812.83 nM 6.09
CHEMBL103474 — IC50 = 840.0 nM 6.08
CHEMBL103474 — IC50 = 831.76 nM 6.08
CHEMBL589525 — IC50 = 870.0 nM 6.06
CHEMBL597962 — IC50 = 1000.0 nM 6.00
CHEMBL278013 — IC50 = 1000.0 nM 6.00
CHEMBL597962 — IC50 = 1010.0 nM 6.00
CHEMBL105020 — IC50 = 1000.0 nM 6.00
CHEMBL278013 — IC50 = 1000.0 nM 6.00
CHEMBL331314 — IC50 = 1020.0 nM 5.99
CHEMBL597583 — IC50 = 1030.0 nM 5.99
CHEMBL597583 — IC50 = 1023.29 nM 5.99
CHEMBL331314 — IC50 = 1023.29 nM 5.99
CHEMBL48648 — IC50 = 1100.0 nM 5.96
CHEMBL48648 — IC50 = 1096.48 nM 5.96
CHEMBL597383 — IC50 = 1240.0 nM 5.91
CHEMBL591930 — IC50 = 1300.0 nM 5.89
CHEMBL591930 — IC50 = 1288.25 nM 5.89
CHEMBL17873 — IC50 = 1412.54 nM 5.85
CHEMBL17873 — IC50 = 1400.0 nM 5.85
CHEMBL105523 — IC50 = 1500.0 nM 5.82
CHEMBL105523 — IC50 = 1513.56 nM 5.82
CHEMBL597961 — IC50 = 1600.0 nM 5.80
CHEMBL17323 — IC50 = 1700.0 nM 5.77
CHEMBL106070 — IC50 = 1700.0 nM 5.77
CHEMBL106070 — IC50 = 1698.24 nM 5.77
CHEMBL17323 — IC50 = 1698.24 nM 5.77
CHEMBL105759 — IC50 = 1800.0 nM 5.75
CHEMBL105759 — IC50 = 1819.7 nM 5.74
CHEMBL431257 — IC50 = 2200.0 nM 5.66
CHEMBL431257 — IC50 = 2187.76 nM 5.66
CHEMBL421594 — IC50 = 2400.0 nM 5.62
CHEMBL421594 — IC50 = 2398.83 nM 5.62
CHEMBL17431 — IC50 = 2570.4 nM 5.59
CHEMBL17431 — IC50 = 2600.0 nM 5.58
CHEMBL607583 — IC50 = 2691.53 nM 5.57
CHEMBL123892 — IC50 = 2691.53 nM 5.57
CHEMBL123892 — IC50 = 2690.0 nM 5.57
CHEMBL607583 — IC50 = 2700.0 nM 5.57
CHEMBL105323 — IC50 = 3019.95 nM 5.52
CHEMBL105323 — IC50 = 3000.0 nM 5.52
CHEMBL17453 — IC50 = 3400.0 nM 5.47
CHEMBL17453 — IC50 = 3388.44 nM 5.47
CHEMBL432136 — IC50 = 3900.0 nM 5.41