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Assay Detail

CHEMBL4185405

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

Binding
Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 2 (333 to 460 residues) expressed in Rosetta2 DE3 cells after 30 mins by Flourescence polarization assay
ChEMBL ↗
74
Total Activities
37
Compounds Tested
2
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 Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
Zhao Y, Bai L, Liu L, McEachern D, Stuckey JA, Meagher JL, Yang CY, Ran X, Zhou B, Hu Y, Li X, Wen B, Zhao T, Li S, Sun D, Wang S.
J Med Chem (2017) 60 : 3887 -3901
PubMed 28463487 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 7.30 8.72
Ki 37 7.77 9.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4208405 — — 2 9.15
CHEMBL4214978 — — 2 9.05
CHEMBL4171228 — — 2 8.85
CHEMBL4203276 — — 2 8.80
CHEMBL4164015 — — 2 8.72
CHEMBL4211497 — — 2 8.59
CHEMBL4215403 — — 2 8.57
CHEMBL4208561 — — 2 8.51
CHEMBL4210754 — — 2 8.42
CHEMBL4210062 — — 2 8.38
CHEMBL4218757 — — 2 8.38
CHEMBL4209113 — — 2 8.31
CHEMBL4218866 — — 2 8.15
CHEMBL4207609 — — 2 8.03
CHEMBL4212515 — — 2 8.00
CHEMBL4213494 — — 2 7.98
CHEMBL4216530 — — 2 7.98
CHEMBL1957266 — — 2 7.92
CHEMBL4210981 — — 2 7.70
CHEMBL1232461 MOLIBRESIB 2.0 2 7.64
CHEMBL4207024 — — 2 7.57
CHEMBL4211972 — — 2 7.55
CHEMBL4207729 — — 2 7.51
CHEMBL4203725 — — 2 7.51
CHEMBL4202675 — — 2 7.37
CHEMBL4210448 — — 2 7.28
CHEMBL4217058 — — 2 7.25
CHEMBL4212082 — — 2 7.24
CHEMBL4205577 — — 2 7.24
CHEMBL4215941 — — 2 7.16

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4208405 — Ki = 0.7 nM 9.15
CHEMBL4214978 — Ki = 0.9 nM 9.05
CHEMBL4171228 — Ki = 1.4 nM 8.85
CHEMBL4203276 — Ki = 1.6 nM 8.80
CHEMBL4164015 — IC50 = 1.9 nM 8.72
CHEMBL4211497 — Ki = 2.6 nM 8.59
CHEMBL4215403 — Ki = 2.7 nM 8.57
CHEMBL4208561 — Ki = 3.1 nM 8.51
CHEMBL4210754 — Ki = 3.8 nM 8.42
CHEMBL4210062 — Ki = 4.2 nM 8.38
CHEMBL4218757 — Ki = 4.2 nM 8.38
CHEMBL4209113 — Ki = 4.9 nM 8.31
CHEMBL4208405 — IC50 = 5.0 nM 8.30
CHEMBL4203276 — IC50 = 5.2 nM 8.28
CHEMBL4214978 — IC50 = 5.6 nM 8.25
CHEMBL4218866 — Ki = 7.0 nM 8.15
CHEMBL4171228 — IC50 = 7.2 nM 8.14
CHEMBL4207609 — Ki = 9.3 nM 8.03
CHEMBL4212515 — Ki = 9.9 nM 8.00
CHEMBL4216530 — Ki = 10.4 nM 7.98
CHEMBL4213494 — Ki = 10.5 nM 7.98
CHEMBL4210062 — IC50 = 10.8 nM 7.97
CHEMBL4218866 — IC50 = 11.6 nM 7.94
CHEMBL4215403 — IC50 = 11.7 nM 7.93
CHEMBL1957266 — Ki = 12.0 nM 7.92
CHEMBL4211497 — IC50 = 12.2 nM 7.91
CHEMBL4210754 — IC50 = 12.7 nM 7.90
CHEMBL4218757 — IC50 = 14.6 nM 7.84
CHEMBL4208561 — IC50 = 15.5 nM 7.81
CHEMBL4210981 — Ki = 20.2 nM 7.70
CHEMBL4209113 — IC50 = 20.3 nM 7.69
CHEMBL1232461 MOLIBRESIB Ki = 23.0 nM 7.64
CHEMBL4216530 — IC50 = 26.4 nM 7.58
CHEMBL4207024 — Ki = 26.9 nM 7.57
CHEMBL4211972 — Ki = 28.0 nM 7.55
CHEMBL4212515 — IC50 = 29.4 nM 7.53
CHEMBL4203725 — Ki = 31.2 nM 7.51
CHEMBL4207729 — Ki = 30.6 nM 7.51
CHEMBL4207609 — IC50 = 32.4 nM 7.49
CHEMBL4213494 — IC50 = 36.3 nM 7.44
CHEMBL1957266 — IC50 = 42.2 nM 7.38
CHEMBL4202675 — Ki = 42.6 nM 7.37
CHEMBL4211972 — IC50 = 48.7 nM 7.31
CHEMBL4210448 — Ki = 52.3 nM 7.28
CHEMBL4217058 — Ki = 56.4 nM 7.25
CHEMBL4212082 — Ki = 57.0 nM 7.24
CHEMBL4205577 — Ki = 58.2 nM 7.24
CHEMBL4210981 — IC50 = 63.5 nM 7.20
CHEMBL4215941 — Ki = 68.7 nM 7.16
CHEMBL2017291 — Ki = 74.8 nM 7.13