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Assay Detail

CHEMBL4404018

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

Binding
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated for 30 mins by TR-FRET assay
31
Total Activities
27
Compounds Tested
3
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

Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
Wellaway CR, Amans D, Bamborough P, Barnett H, Bit RA, Brown JA, Carlson NR, Chung CW, Cooper AWJ, Craggs PD, Davis RP, Dean TW, Evans JP, Gordon L, Harada IL, Hirst DJ, Humphreys PG, Jones KL, Lewis AJ, Lindon MJ, Lugo D, Mahmood M, McCleary S, Medeiros P, Mitchell DJ, O'Sullivan M, Le Gall A, Patel VK, Patten C, Poole DL, Shah RR, Smith JE, Stafford KAJ, Thomas PJ, Vimal M, Wall ID, Watson RJ, Wellaway N, Yao G, Prinjha RK.
J Med Chem (2020) 63 : 714 -746
PubMed 31904959 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 6.47 8.00
pIC50 1 - -
Kd 1 8.30 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4438171 2 8.30
CHEMBL4448056 1 8.00
CHEMBL4522991 2 7.60
CHEMBL4576013 1 7.40
CHEMBL4579229 1 7.30
CHEMBL4547614 1 7.30
CHEMBL4466159 2 7.20
CHEMBL4570497 1 7.10
CHEMBL4456922 1 7.10
CHEMBL4459169 2 6.80
CHEMBL4457453 1 6.70
CHEMBL4455610 1 6.60
CHEMBL4475163 1 6.50
CHEMBL4581846 1 6.30
CHEMBL4460392 1 6.30
CHEMBL4469520 1 6.20
CHEMBL4466558 1 5.80
CHEMBL4439664 1 5.80
CHEMBL4443443 1 5.80
CHEMBL4572090 1 5.80
CHEMBL4464453 1 5.70
CHEMBL4574340 1 5.60
CHEMBL4450089 1 5.20
CHEMBL4553071 1 5.10
CHEMBL4452292 1 4.90
CHEMBL4558654 1 -
CHEMBL4593025 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4438171 Kd = 5.012 nM 8.30
CHEMBL4448056 IC50 = 10.0 nM 8.00
CHEMBL4438171 IC50 = 12.59 nM 7.90
CHEMBL4522991 IC50 = 25.12 nM 7.60
CHEMBL4522991 IC50 = 31.62 nM 7.50
CHEMBL4576013 IC50 = 39.81 nM 7.40
CHEMBL4579229 IC50 = 50.12 nM 7.30
CHEMBL4547614 IC50 = 50.12 nM 7.30
CHEMBL4466159 IC50 = 63.1 nM 7.20
CHEMBL4570497 IC50 = 79.43 nM 7.10
CHEMBL4456922 IC50 = 79.43 nM 7.10
CHEMBL4459169 IC50 = 158.49 nM 6.80
CHEMBL4457453 IC50 = 199.53 nM 6.70
CHEMBL4455610 IC50 = 251.19 nM 6.60
CHEMBL4475163 IC50 = 316.23 nM 6.50
CHEMBL4460392 IC50 = 501.19 nM 6.30
CHEMBL4581846 IC50 = 501.19 nM 6.30
CHEMBL4469520 IC50 = 630.96 nM 6.20
CHEMBL4459169 IC50 = 794.33 nM 6.10
CHEMBL4466558 IC50 = 1584.89 nM 5.80
CHEMBL4439664 IC50 = 1584.89 nM 5.80
CHEMBL4572090 IC50 = 1584.89 nM 5.80
CHEMBL4443443 IC50 = 1584.89 nM 5.80
CHEMBL4464453 IC50 = 1995.26 nM 5.70
CHEMBL4574340 IC50 = 2511.89 nM 5.60
CHEMBL4466159 IC50 = 2511.89 nM 5.60
CHEMBL4450089 IC50 = 6309.57 nM 5.20
CHEMBL4553071 IC50 = 7943.28 nM 5.10
CHEMBL4452292 IC50 = 12589.25 nM 4.90
CHEMBL4558654 IC50 > 50118.72 nM -
CHEMBL4593025 pIC50 - -