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Assay Detail

CHEMBL4338135

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

Binding
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD
23
Total Activities
23
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

C-1-tetrahydrofolate synthase, cytoplasmic (CHEMBL2541)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.
J Med Chem (2019) 62 : 10204 -10220
PubMed 31638799 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 5.23 6.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4463968 1 6.24
CHEMBL4470947 1 5.96
CHEMBL4483030 1 5.54
CHEMBL4542665 1 5.38
CHEMBL4584730 1 5.31
CHEMBL4441993 1 5.30
CHEMBL4534641 1 5.28
CHEMBL4441792 1 5.27
CHEMBL4546647 1 5.19
CHEMBL4538356 1 5.10
CHEMBL4460077 1 5.08
CHEMBL4474051 1 4.92
CHEMBL4458187 1 4.73
CHEMBL4460238 1 4.64
CHEMBL4472668 1 4.57
CHEMBL4438430 1 -
CHEMBL4592118 1 -
CHEMBL4451401 1 -
CHEMBL4473116 1 -
CHEMBL4436668 1 -
CHEMBL4551634 1 -
CHEMBL4467997 1 -
CHEMBL4526400 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4463968 IC50 = 570.0 nM 6.24
CHEMBL4470947 IC50 = 1100.0 nM 5.96
CHEMBL4483030 IC50 = 2900.0 nM 5.54
CHEMBL4542665 IC50 = 4200.0 nM 5.38
CHEMBL4584730 IC50 = 4900.0 nM 5.31
CHEMBL4441993 IC50 = 5000.0 nM 5.30
CHEMBL4534641 IC50 = 5200.0 nM 5.28
CHEMBL4441792 IC50 = 5400.0 nM 5.27
CHEMBL4546647 IC50 = 6400.0 nM 5.19
CHEMBL4538356 IC50 = 8000.0 nM 5.10
CHEMBL4460077 IC50 = 8400.0 nM 5.08
CHEMBL4474051 IC50 = 12000.0 nM 4.92
CHEMBL4458187 IC50 = 18700.0 nM 4.73
CHEMBL4460238 IC50 = 23000.0 nM 4.64
CHEMBL4472668 IC50 = 27000.0 nM 4.57
CHEMBL4438430 IC50 > 30000.0 nM -
CHEMBL4592118 IC50 > 30000.0 nM -
CHEMBL4451401 IC50 > 30000.0 nM -
CHEMBL4473116 IC50 > 30000.0 nM -
CHEMBL4436668 IC50 > 30000.0 nM -
CHEMBL4551634 IC50 > 30000.0 nM -
CHEMBL4467997 IC50 > 30000.0 nM -
CHEMBL4526400 IC50 > 30000.0 nM -