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Assay Detail

CHEMBL4626976

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

Binding
Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
21
Total Activities
21
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

Bromodomain-containing protein 4 (CHEMBL1163125)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype.
Wellaway CR, Bamborough P, Bernard SG, Chung CW, Craggs PD, Cutler L, Demont EH, Evans JP, Gordon L, Karamshi B, Lewis AJ, Lindon MJ, Mitchell DJ, Rioja I, Soden PE, Taylor S, Watson RJ, Willis R, Woolven JM, Wyspiańska BS, Kerr WJ, Prinjha RK.
J Med Chem (2020) 63 : 9020 -9044
PubMed 32787145 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 5.20 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4635329 1 7.40
CHEMBL2017291 1 6.50
CHEMBL4633643 1 6.30
CHEMBL4648188 1 5.50
CHEMBL4639924 1 5.50
CHEMBL4635126 1 5.20
CHEMBL4639128 GSK778 1 5.20
CHEMBL4640166 1 5.00
CHEMBL4646732 1 4.90
CHEMBL4641414 1 4.80
CHEMBL4641363 1 4.60
CHEMBL4633358 1 4.60
CHEMBL4642291 1 4.50
CHEMBL4640928 1 4.50
CHEMBL4644512 1 4.40
CHEMBL4635194 1 4.30
CHEMBL4639916 1 -
CHEMBL4642458 1 -
CHEMBL4639591 1 -
CHEMBL4643720 1 -
CHEMBL4637861 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4635329 IC50 = 39.81 nM 7.40
CHEMBL2017291 IC50 = 316.23 nM 6.50
CHEMBL4633643 IC50 = 501.19 nM 6.30
CHEMBL4648188 IC50 = 3162.28 nM 5.50
CHEMBL4639924 IC50 = 3162.28 nM 5.50
CHEMBL4635126 IC50 = 6309.57 nM 5.20
CHEMBL4639128 GSK778 IC50 = 6309.57 nM 5.20
CHEMBL4640166 IC50 = 10000.0 nM 5.00
CHEMBL4646732 IC50 = 12589.25 nM 4.90
CHEMBL4641414 IC50 = 15848.93 nM 4.80
CHEMBL4641363 IC50 = 25118.86 nM 4.60
CHEMBL4633358 IC50 = 25118.86 nM 4.60
CHEMBL4642291 IC50 = 31622.78 nM 4.50
CHEMBL4640928 IC50 = 31622.78 nM 4.50
CHEMBL4644512 IC50 = 39810.72 nM 4.40
CHEMBL4635194 IC50 = 50118.72 nM 4.30
CHEMBL4639916 IC50 > 50118.72 nM -
CHEMBL4642458 IC50 > 50118.72 nM -
CHEMBL4639591 IC50 > 50118.72 nM -
CHEMBL4643720 IC50 > 50118.72 nM -
CHEMBL4637861 IC50 > 50118.72 nM -