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Assay Detail

CHEMBL4346333

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

Binding
Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay
ChEMBL ↗
49
Total Activities
49
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

Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.
J Med Chem (2020) 63 : 5585 -5623
PubMed 32324999 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 49 7.00 8.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4548794 — — 1 8.19
CHEMBL4454597 — — 1 8.18
CHEMBL4461291 — — 1 8.08
CHEMBL4470856 — — 1 8.08
CHEMBL3964225 — — 1 8.07
CHEMBL4465299 — — 1 8.05
CHEMBL4454614 — — 1 7.89
CHEMBL4551285 — — 1 7.89
CHEMBL4529861 — — 1 7.77
CHEMBL3915707 — — 1 7.67
CHEMBL4555653 — — 1 7.66
CHEMBL4469571 — — 1 7.52
CHEMBL4564879 — — 1 7.42
CHEMBL4434761 — — 1 7.35
CHEMBL4466931 — — 1 7.31
CHEMBL4471851 — — 1 7.18
CHEMBL4440089 — — 1 7.16
CHEMBL4435166 — — 1 7.12
CHEMBL4589568 — — 1 7.10
CHEMBL4548127 — — 1 7.09
CHEMBL4461289 — — 1 7.05
CHEMBL4462804 — — 1 6.92
CHEMBL4449740 — — 1 6.89
CHEMBL4552305 — — 1 6.85
CHEMBL4590365 — — 1 6.85
CHEMBL4483338 — — 1 6.85
CHEMBL4467038 — — 1 6.80
CHEMBL4586647 — — 1 6.80
CHEMBL4587188 — — 1 6.77
CHEMBL4560574 — — 1 6.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4548794 — Ki = 6.5 nM 8.19
CHEMBL4454597 — Ki = 6.6 nM 8.18
CHEMBL4470856 — Ki = 8.4 nM 8.08
CHEMBL4461291 — Ki = 8.3 nM 8.08
CHEMBL3964225 — Ki = 8.6 nM 8.07
CHEMBL4465299 — Ki = 9.0 nM 8.05
CHEMBL4454614 — Ki = 13.0 nM 7.89
CHEMBL4551285 — Ki = 13.0 nM 7.89
CHEMBL4529861 — Ki = 17.0 nM 7.77
CHEMBL3915707 — Ki = 21.6 nM 7.67
CHEMBL4555653 — Ki = 22.0 nM 7.66
CHEMBL4469571 — Ki = 30.0 nM 7.52
CHEMBL4564879 — Ki = 38.0 nM 7.42
CHEMBL4434761 — Ki = 45.0 nM 7.35
CHEMBL4466931 — Ki = 49.0 nM 7.31
CHEMBL4471851 — Ki = 66.0 nM 7.18
CHEMBL4440089 — Ki = 69.0 nM 7.16
CHEMBL4435166 — Ki = 76.0 nM 7.12
CHEMBL4589568 — Ki = 79.0 nM 7.10
CHEMBL4548127 — Ki = 82.0 nM 7.09
CHEMBL4461289 — Ki = 90.0 nM 7.05
CHEMBL4462804 — Ki = 120.0 nM 6.92
CHEMBL4449740 — Ki = 130.0 nM 6.89
CHEMBL4483338 — Ki = 140.0 nM 6.85
CHEMBL4590365 — Ki = 140.0 nM 6.85
CHEMBL4552305 — Ki = 140.0 nM 6.85
CHEMBL4467038 — Ki = 160.0 nM 6.80
CHEMBL4586647 — Ki = 160.0 nM 6.80
CHEMBL4587188 — Ki = 170.0 nM 6.77
CHEMBL4560574 — Ki = 170.0 nM 6.77
CHEMBL4539875 — Ki = 180.0 nM 6.75
CHEMBL4442074 — Ki = 220.0 nM 6.66
CHEMBL4464739 — Ki = 220.0 nM 6.66
CHEMBL4555714 — Ki = 230.0 nM 6.64
CHEMBL4568610 — Ki = 250.0 nM 6.60
CHEMBL4554545 — Ki = 270.0 nM 6.57
CHEMBL4533567 — Ki = 290.0 nM 6.54
CHEMBL4455576 — Ki = 300.0 nM 6.52
CHEMBL4579396 — Ki = 300.0 nM 6.52
CHEMBL4455214 — Ki = 310.0 nM 6.51
CHEMBL4443563 — Ki = 380.0 nM 6.42
CHEMBL4452861 — Ki = 400.0 nM 6.40
CHEMBL4452278 — Ki = 440.0 nM 6.36
CHEMBL4547415 — Ki = 470.0 nM 6.33
CHEMBL4297454 ABBV-744 Ki = 520.0 nM 6.28
CHEMBL4521111 — Ki = 780.0 nM 6.11
CHEMBL4453740 — Ki = 2100.0 nM 5.68
CHEMBL4584480 — Ki = 4700.0 nM 5.33
CHEMBL4457805 — Ki > 12000.0 nM -