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Assay Detail

CHEMBL4432159

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

Binding
Inhibition of recombinant N-terminal 6His-tagged human GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,8-dideazafolic acid measured at every 15 seconds over 20 min by spectrophotometric analysis
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Trifunctional purine biosynthetic protein adenosine-3 (CHEMBL3972)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
Golani LK, Wallace-Povirk A, Deis SM, Wong J, Ke J, Gu X, Raghavan S, Wilson MR, Li X, Polin L, de Waal PW, White K, Kushner J, O'Connor C, Hou Z, Xu HE, Melcher K, Dann CE, Matherly LH, Gangjee A.
J Med Chem (2016) 59 : 7856 -7876
PubMed 27458733 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 9 6.91 7.23

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4437824 1 7.23
CHEMBL4444011 1 7.21
CHEMBL4447805 1 7.21
CHEMBL1834488 1 7.17
CHEMBL4471269 1 7.00
CHEMBL4553188 1 6.91
CHEMBL192632 1 6.80
CHEMBL4467936 1 6.70
CHEMBL225072 PEMETREXED 4.0 1 6.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4437824 Ki = 59.0 nM 7.23
CHEMBL4444011 Ki = 62.0 nM 7.21
CHEMBL4447805 Ki = 61.0 nM 7.21
CHEMBL1834488 Ki = 68.0 nM 7.17
CHEMBL4471269 Ki = 99.0 nM 7.00
CHEMBL4553188 Ki = 122.0 nM 6.91
CHEMBL192632 Ki = 160.0 nM 6.80
CHEMBL4467936 Ki = 201.0 nM 6.70
CHEMBL225072 PEMETREXED Ki = 1000.0 nM 6.00