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Assay Detail

CHEMBL1071425

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Binding
Inhibition of rat liver DHFR by spectrophotometric assay
ChEMBL ↗
137
Total Activities
80
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Dihydrofolate reductase (CHEMBL2363) ↗
Type SINGLE PROTEIN
Organism Rattus norvegicus

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 137 4.85 6.18

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL597961 — — 1 6.18
CHEMBL421594 — — 2 6.05
CHEMBL597962 — — 2 5.96
CHEMBL591930 — — 2 5.82
CHEMBL102303 — — 2 5.80
CHEMBL103474 — — 2 5.73
CHEMBL123984 — — 2 5.69
CHEMBL331314 — — 2 5.63
CHEMBL278013 — — 1 5.52
CHEMBL602913 — — 2 5.52
CHEMBL106070 — — 2 5.46
CHEMBL105759 — — 2 5.43
CHEMBL609914 — — 2 5.34
CHEMBL597383 — — 2 5.32
CHEMBL597583 — — 2 5.32
CHEMBL17430 — — 2 5.28
CHEMBL105523 — — 2 5.16
CHEMBL331986 — — 2 5.11
CHEMBL589525 — — 2 5.09
CHEMBL607583 — — 2 5.07
CHEMBL608428 — — 2 4.93
CHEMBL23846 — — 2 4.92
CHEMBL283311 — — 2 4.91
CHEMBL601520 — — 1 4.90
CHEMBL431257 — — 2 4.89
CHEMBL17873 — — 2 4.84
CHEMBL22561 — — 2 4.84
CHEMBL105020 — — 1 4.82
CHEMBL23297 — — 1 4.79
CHEMBL17431 — — 2 4.78

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL597961 — IC50 = 660.0 nM 6.18
CHEMBL421594 — IC50 = 900.0 nM 6.05
CHEMBL421594 — IC50 = 891.25 nM 6.05
CHEMBL597962 — IC50 = 1090.0 nM 5.96
CHEMBL597962 — IC50 = 1096.48 nM 5.96
CHEMBL591930 — IC50 = 1500.0 nM 5.82
CHEMBL591930 — IC50 = 1513.56 nM 5.82
CHEMBL102303 — IC50 = 1600.0 nM 5.80
CHEMBL102303 — IC50 = 1584.89 nM 5.80
CHEMBL103474 — IC50 = 1880.0 nM 5.73
CHEMBL103474 — IC50 = 1862.09 nM 5.73
CHEMBL123984 — IC50 = 2060.0 nM 5.69
CHEMBL123984 — IC50 = 2041.74 nM 5.69
CHEMBL331314 — IC50 = 2344.23 nM 5.63
CHEMBL331314 — IC50 = 2320.0 nM 5.63
CHEMBL278013 — IC50 = 3000.0 nM 5.52
CHEMBL602913 — IC50 = 3000.0 nM 5.52
CHEMBL602913 — IC50 = 3019.95 nM 5.52
CHEMBL106070 — IC50 = 3500.0 nM 5.46
CHEMBL106070 — IC50 = 3467.37 nM 5.46
CHEMBL105759 — IC50 = 3700.0 nM 5.43
CHEMBL105759 — IC50 = 3715.35 nM 5.43
CHEMBL609914 — IC50 = 4570.0 nM 5.34
CHEMBL609914 — IC50 = 4570.88 nM 5.34
CHEMBL597383 — IC50 = 4786.3 nM 5.32
CHEMBL597583 — IC50 = 4800.0 nM 5.32
CHEMBL597383 — IC50 = 4800.0 nM 5.32
CHEMBL597583 — IC50 = 4786.3 nM 5.32
CHEMBL17430 — IC50 = 5300.0 nM 5.28
CHEMBL17430 — IC50 = 5248.07 nM 5.28
CHEMBL105523 — IC50 = 7000.0 nM 5.16
CHEMBL105523 — IC50 = 7079.46 nM 5.15
CHEMBL331986 — IC50 = 7800.0 nM 5.11
CHEMBL331986 — IC50 = 7762.47 nM 5.11
CHEMBL589525 — IC50 = 8200.0 nM 5.09
CHEMBL589525 — IC50 = 8128.31 nM 5.09
CHEMBL607583 — IC50 = 8511.38 nM 5.07
CHEMBL607583 — IC50 = 8600.0 nM 5.07
CHEMBL608428 — IC50 = 11800.0 nM 4.93
CHEMBL608428 — IC50 = 11748.98 nM 4.93
CHEMBL23846 — IC50 = 12022.64 nM 4.92
CHEMBL23846 — IC50 = 12000.0 nM 4.92
CHEMBL283311 — IC50 = 12300.0 nM 4.91
CHEMBL283311 — IC50 = 12302.69 nM 4.91
CHEMBL601520 — IC50 = 12600.0 nM 4.90
CHEMBL431257 — IC50 = 13000.0 nM 4.89
CHEMBL431257 — IC50 = 12882.5 nM 4.89
CHEMBL17873 — IC50 = 14454.4 nM 4.84
CHEMBL22561 — IC50 = 14454.4 nM 4.84
CHEMBL17873 — IC50 = 14400.0 nM 4.84