Assay Detail
Binding
CHEMBL5733933
Review assay metadata, readout intent, target linkage, and publication context from the same page.
BRM SM TR-FRET Binding Assay: Histidine epitope tagged BRM (Isoform 2) Bromodomain1377-1486 (S1377-Q1486; Swiss Prot P51531-2; mhhhhhhgslvpr\gsSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKEL PEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQ SVFKSARQ SEQ ID NO:2) was cloned, expressed, and purified to homogeneity. BRM-BD binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule ligand (Example 248) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, His-BRM-BD (0.3 nM final) was combined with biotinylated-ligand (30 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (6×His disclosed as SEQ ID NO: 4) (Perkin Elmer AD0110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nM antibody and 50 nM SA-APC, respectively. After sixty minutes equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
93
Total Activities
31
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Therapeutic compounds and uses thereof
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 7.32 | 8.24 |
| kon | 31 | - | - |
| k_off | 31 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5990730 | — | — | 3 | 8.24 |
| CHEMBL5828864 | — | — | 3 | 8.14 |
| CHEMBL5986544 | — | — | 3 | 8.06 |
| CHEMBL5420238 | — | — | 3 | 8.00 |
| CHEMBL6015013 | — | — | 3 | 7.83 |
| CHEMBL5799421 | — | — | 3 | 7.74 |
| CHEMBL5936538 | — | — | 3 | 7.72 |
| CHEMBL5764986 | — | — | 3 | 7.65 |
| CHEMBL5784538 | — | — | 3 | 7.60 |
| CHEMBL5834796 | — | — | 3 | 7.45 |
| CHEMBL5880733 | — | — | 3 | 7.45 |
| CHEMBL5927048 | — | — | 3 | 7.44 |
| CHEMBL5177096 | — | — | 3 | 7.43 |
| CHEMBL5914784 | — | — | 3 | 7.41 |
| CHEMBL5837765 | — | — | 3 | 7.41 |
| CHEMBL5424811 | — | — | 3 | 7.34 |
| CHEMBL5952549 | — | — | 3 | 7.33 |
| CHEMBL5930292 | — | — | 3 | 7.32 |
| CHEMBL5781858 | — | — | 3 | 7.31 |
| CHEMBL5771358 | — | — | 3 | 7.22 |
| CHEMBL5870195 | — | — | 3 | 7.22 |
| CHEMBL5887624 | — | — | 3 | 7.16 |
| CHEMBL4782464 | — | — | 3 | 7.15 |
| CHEMBL5938769 | — | — | 3 | 7.14 |
| CHEMBL5781169 | — | — | 3 | 7.10 |
| CHEMBL5869670 | — | — | 3 | 7.03 |
| CHEMBL6048306 | — | — | 3 | 6.71 |
| CHEMBL5876135 | — | — | 3 | 6.56 |
| CHEMBL6046247 | — | — | 3 | 6.50 |
| CHEMBL5854974 | — | — | 3 | 6.33 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5990730 | — | IC50 | = | 5.7 | nM | 8.24 |
| CHEMBL5828864 | — | IC50 | = | 7.2 | nM | 8.14 |
| CHEMBL5986544 | — | IC50 | = | 8.8 | nM | 8.06 |
| CHEMBL5420238 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL6015013 | — | IC50 | = | 14.9 | nM | 7.83 |
| CHEMBL5799421 | — | IC50 | = | 18.4 | nM | 7.74 |
| CHEMBL5936538 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL5764986 | — | IC50 | = | 22.5 | nM | 7.65 |
| CHEMBL5784538 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL5880733 | — | IC50 | = | 35.8 | nM | 7.45 |
| CHEMBL5834796 | — | IC50 | = | 35.6 | nM | 7.45 |
| CHEMBL5927048 | — | IC50 | = | 36.1 | nM | 7.44 |
| CHEMBL5177096 | — | IC50 | = | 37.3 | nM | 7.43 |
| CHEMBL5914784 | — | IC50 | = | 39.3 | nM | 7.41 |
| CHEMBL5837765 | — | IC50 | = | 39.0 | nM | 7.41 |
| CHEMBL5424811 | — | IC50 | = | 45.9 | nM | 7.34 |
| CHEMBL5952549 | — | IC50 | = | 46.8 | nM | 7.33 |
| CHEMBL5930292 | — | IC50 | = | 47.6 | nM | 7.32 |
| CHEMBL5781858 | — | IC50 | = | 49.3 | nM | 7.31 |
| CHEMBL5771358 | — | IC50 | = | 60.7 | nM | 7.22 |
| CHEMBL5870195 | — | IC50 | = | 59.7 | nM | 7.22 |
| CHEMBL5887624 | — | IC50 | = | 69.6 | nM | 7.16 |
| CHEMBL4782464 | — | IC50 | = | 71.5 | nM | 7.15 |
| CHEMBL5938769 | — | IC50 | = | 71.7 | nM | 7.14 |
| CHEMBL5781169 | — | IC50 | = | 79.0 | nM | 7.10 |
| CHEMBL5869670 | — | IC50 | = | 92.5 | nM | 7.03 |
| CHEMBL6048306 | — | IC50 | = | 197.0 | nM | 6.71 |
| CHEMBL5876135 | — | IC50 | = | 276.0 | nM | 6.56 |
| CHEMBL6046247 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL5854974 | — | IC50 | = | 466.0 | nM | 6.33 |
| CHEMBL5930220 | — | IC50 | = | 1040.0 | nM | 5.98 |
| CHEMBL5930220 | — | k_off | = | - | s-1 | - |
| CHEMBL6046247 | — | kon | = | - | — | - |
| CHEMBL5420238 | — | kon | = | - | — | - |
| CHEMBL5986544 | — | kon | = | - | — | - |
| CHEMBL5986544 | — | k_off | = | - | s-1 | - |
| CHEMBL5784538 | — | kon | = | - | — | - |
| CHEMBL5784538 | — | k_off | = | - | s-1 | - |
| CHEMBL5854974 | — | kon | = | - | — | - |
| CHEMBL5854974 | — | k_off | = | - | s-1 | - |
| CHEMBL5914784 | — | kon | = | - | — | - |
| CHEMBL5914784 | — | k_off | = | - | s-1 | - |
| CHEMBL6046247 | — | k_off | = | - | s-1 | - |
| CHEMBL5828864 | — | k_off | = | - | s-1 | - |
| CHEMBL5870195 | — | kon | = | - | — | - |
| CHEMBL5828864 | — | kon | = | - | — | - |
| CHEMBL5870195 | — | k_off | = | - | s-1 | - |
| CHEMBL5177096 | — | kon | = | - | — | - |
| CHEMBL5177096 | — | k_off | = | - | s-1 | - |
| CHEMBL5781858 | — | k_off | = | - | s-1 | - |