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Assay Detail

CHEMBL5161737

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

Binding
Inhibition of MT2A in MTAP-null human HCT-116 cells after 72 hrs by LC-MS/MS analysis
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HCT116-MTAP null
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

S-adenosylmethionine synthase isoform type-2 (CHEMBL3313835)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
Li M, Konteatis Z, Nagaraja N, Chen Y, Zhou S, Ma G, Gross S, Marjon K, Hyer ML, Mandley E, Lein M, Padyana AK, Jin L, Tong S, Peters R, Murtie J, Travins J, Medeiros M, Liu P, Frank V, Judd ET, Biller SA, Marks KM, Sui Z, Reznik SK.
J Med Chem (2022) 65 : 4600 -4615
PubMed 35293760 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 7.53 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5185760 1 8.00
CHEMBL5177250 1 7.96
CHEMBL5187048 1 7.89
CHEMBL5178902 1 7.85
CHEMBL5207988 1 7.68
CHEMBL5207874 1 7.64
CHEMBL5185699 1 7.51
CHEMBL5206988 1 7.50
CHEMBL5170690 1 7.47
CHEMBL5183776 1 7.34
CHEMBL5205028 1 7.10
CHEMBL5183514 1 7.00
CHEMBL5208553 1 6.95

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5185760 IC50 = 10.0 nM 8.00
CHEMBL5177250 IC50 = 11.0 nM 7.96
CHEMBL5187048 IC50 = 13.0 nM 7.89
CHEMBL5178902 IC50 = 14.0 nM 7.85
CHEMBL5207988 IC50 = 21.0 nM 7.68
CHEMBL5207874 IC50 = 23.0 nM 7.64
CHEMBL5185699 IC50 = 31.0 nM 7.51
CHEMBL5206988 IC50 = 32.0 nM 7.50
CHEMBL5170690 IC50 = 34.0 nM 7.47
CHEMBL5183776 IC50 = 46.0 nM 7.34
CHEMBL5205028 IC50 = 79.0 nM 7.10
CHEMBL5183514 IC50 = 101.0 nM 7.00
CHEMBL5208553 IC50 = 113.0 nM 6.95