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Assay Detail

CHEMBL5339133

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

Binding
Inhibition of recombinant human LSD1 (172 to 852 residues)/His-tagged human CoREST (286 to 482 residues) expressed in Escherichia coli BL21 (DE3) cells using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate assessed as increase in H3K4 methylation incubated for 40 mins
15
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

LSD1/CoREST complex (CHEMBL3137262)
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Hattori Y, Matsumoto S, Morimoto S, Daini M, Toyofuku M, Matsuda S, Baba R, Murakami K, Iwatani M, Oki H, Iwasaki S, Matsumiya K, Tominari Y, Kimura H, Ito M.
Eur J Med Chem (2022) 239 : 114522 -114522
PubMed 35749987 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 6.90 8.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3775474 1 8.48
CHEMBL5399284 1 8.14
CHEMBL5421067 2 7.85
CHEMBL5417375 1 7.34
CHEMBL5403890 1 7.09
CHEMBL5433869 1 6.80
CHEMBL5418529 1 6.64
CHEMBL5436851 1 6.57
CHEMBL3775248 1 6.57
CHEMBL5406255 1 6.07
CHEMBL5399880 1 5.75
CHEMBL5397545 1 5.43
CHEMBL5421844 1 -
CHEMBL5440326 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3775474 IC50 = 3.3 nM 8.48
CHEMBL5399284 IC50 = 7.2 nM 8.14
CHEMBL5421067 IC50 = 14.0 nM 7.85
CHEMBL5417375 IC50 = 46.0 nM 7.34
CHEMBL5403890 IC50 = 82.0 nM 7.09
CHEMBL5421067 IC50 = 98.0 nM 7.01
CHEMBL5433869 IC50 = 160.0 nM 6.80
CHEMBL5418529 IC50 = 230.0 nM 6.64
CHEMBL5436851 IC50 = 270.0 nM 6.57
CHEMBL3775248 IC50 = 270.0 nM 6.57
CHEMBL5406255 IC50 = 860.0 nM 6.07
CHEMBL5399880 IC50 = 1800.0 nM 5.75
CHEMBL5397545 IC50 = 3700.0 nM 5.43
CHEMBL5421844 IC50 > 10000.0 nM -
CHEMBL5440326 IC50 > 10000.0 nM -