Assay Detail
Binding
CHEMBL5737547
Review assay metadata, readout intent, target linkage, and publication context from the same page.
MLL1-WRAD2 Enzyme Assay: Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (aa 3745-3969, GenBank Accession No. NM_005933), WDR5 (aa 22-334, GenBank Accession No. NM 017588), RbBP5 (aa 1-538, GenBank Accession No. NM_005057), Ash2L (aa 2-534, GenBank Accession No. NM_001105214), and DPY-30 (aa 1-99, GenBank Accession No. NM_0325742), all with N-terminal His tag, were expressed in E. coli and mixed at a molar ratio of 1:1:1:1:2. 10 nM of the assembled MLL1-WRAD2 complex was mixed with 100 nM WRAD2 to enhance complex formation before incubation with 0.05 mg/ml nucleosome substrate and compounds (as 10 point duplicate dose response titrations) for 15 min in a buffer consisting of 50 mM Tris (pH 8.5), 5 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.01% Brij-35, and 1% DMSO. Reaction was initiated with 1 μM 3H-SAM and incubated for 1 hour at 30° C. Reaction mixture was transferred to P81 filter-paper and washed with PBS before detection.
216
Total Activities
69
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Substituted carboxamides as inhibitors of WDR5 protein-protein binding
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 72 | 5.72 | 7.31 |
| kon | 72 | - | - |
| k_off | 72 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL6018567 | — | — | 3 | 7.31 |
| CHEMBL5964471 | — | — | 3 | 6.71 |
| CHEMBL5758844 | — | — | 3 | 6.69 |
| CHEMBL5941839 | — | — | 3 | 6.67 |
| CHEMBL5988233 | — | — | 3 | 6.54 |
| CHEMBL5751480 | — | — | 3 | 6.53 |
| CHEMBL5955314 | — | — | 3 | 6.48 |
| CHEMBL5820916 | — | — | 3 | 6.29 |
| CHEMBL5769064 | — | — | 3 | 6.28 |
| CHEMBL5989434 | — | — | 3 | 6.26 |
| CHEMBL5984557 | — | — | 6 | 6.23 |
| CHEMBL5764557 | — | — | 3 | 6.22 |
| CHEMBL5999701 | — | — | 3 | 6.12 |
| CHEMBL5806937 | — | — | 3 | 6.11 |
| CHEMBL5959550 | — | — | 3 | 6.04 |
| CHEMBL5765286 | — | — | 9 | 6.03 |
| CHEMBL5819994 | — | — | 3 | 6.01 |
| CHEMBL5777404 | — | — | 3 | 5.96 |
| CHEMBL5775482 | — | — | 3 | 5.96 |
| CHEMBL5965571 | — | — | 3 | 5.96 |
| CHEMBL6015959 | — | — | 3 | 5.94 |
| CHEMBL5770014 | — | — | 3 | 5.89 |
| CHEMBL5972754 | — | — | 3 | 5.85 |
| CHEMBL5773992 | — | — | 3 | 5.83 |
| CHEMBL5921931 | — | — | 3 | 5.83 |
| CHEMBL5948754 | — | — | 3 | 5.80 |
| CHEMBL5740516 | — | — | 3 | 5.76 |
| CHEMBL5896100 | — | — | 3 | 5.76 |
| CHEMBL5922903 | — | — | 3 | 5.75 |
| CHEMBL5803196 | — | — | 3 | 5.72 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL6018567 | — | IC50 | = | 49.0 | nM | 7.31 |
| CHEMBL5964471 | — | IC50 | = | 197.0 | nM | 6.71 |
| CHEMBL5758844 | — | IC50 | = | 203.0 | nM | 6.69 |
| CHEMBL5941839 | — | IC50 | = | 216.0 | nM | 6.67 |
| CHEMBL5988233 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL5751480 | — | IC50 | = | 293.0 | nM | 6.53 |
| CHEMBL5955314 | — | IC50 | = | 332.0 | nM | 6.48 |
| CHEMBL5820916 | — | IC50 | = | 514.0 | nM | 6.29 |
| CHEMBL5769064 | — | IC50 | = | 529.0 | nM | 6.28 |
| CHEMBL5989434 | — | IC50 | = | 549.0 | nM | 6.26 |
| CHEMBL5984557 | — | IC50 | = | 592.0 | nM | 6.23 |
| CHEMBL5984557 | — | IC50 | = | 592.0 | nM | 6.23 |
| CHEMBL5764557 | — | IC50 | = | 607.0 | nM | 6.22 |
| CHEMBL5999701 | — | IC50 | = | 764.0 | nM | 6.12 |
| CHEMBL5806937 | — | IC50 | = | 779.0 | nM | 6.11 |
| CHEMBL5959550 | — | IC50 | = | 907.0 | nM | 6.04 |
| CHEMBL5765286 | — | IC50 | = | 939.0 | nM | 6.03 |
| CHEMBL5765286 | — | IC50 | = | 939.0 | nM | 6.03 |
| CHEMBL5765286 | — | IC50 | = | 939.0 | nM | 6.03 |
| CHEMBL5819994 | — | IC50 | = | 966.0 | nM | 6.01 |
| CHEMBL5965571 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL5777404 | — | IC50 | = | 1093.0 | nM | 5.96 |
| CHEMBL5775482 | — | IC50 | = | 1110.0 | nM | 5.96 |
| CHEMBL6015959 | — | IC50 | = | 1150.0 | nM | 5.94 |
| CHEMBL5770014 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL5972754 | — | IC50 | = | 1410.0 | nM | 5.85 |
| CHEMBL5773992 | — | IC50 | = | 1470.0 | nM | 5.83 |
| CHEMBL5921931 | — | IC50 | = | 1480.0 | nM | 5.83 |
| CHEMBL5948754 | — | IC50 | = | 1570.0 | nM | 5.80 |
| CHEMBL5740516 | — | IC50 | = | 1740.0 | nM | 5.76 |
| CHEMBL5896100 | — | IC50 | = | 1750.0 | nM | 5.76 |
| CHEMBL5922903 | — | IC50 | = | 1790.0 | nM | 5.75 |
| CHEMBL5803196 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL5816421 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL5756767 | — | IC50 | = | 1890.0 | nM | 5.72 |
| CHEMBL5936269 | — | IC50 | = | 2090.0 | nM | 5.68 |
| CHEMBL5992323 | — | IC50 | = | 2070.0 | nM | 5.68 |
| CHEMBL6017945 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL6004276 | — | IC50 | = | 2250.0 | nM | 5.65 |
| CHEMBL5979000 | — | IC50 | = | 2280.0 | nM | 5.64 |
| CHEMBL6012221 | — | IC50 | = | 2390.0 | nM | 5.62 |
| CHEMBL6037844 | — | IC50 | = | 2390.0 | nM | 5.62 |
| CHEMBL6060568 | — | IC50 | = | 2534.0 | nM | 5.60 |
| CHEMBL5964629 | — | IC50 | = | 2510.0 | nM | 5.60 |
| CHEMBL5874695 | — | IC50 | = | 2510.0 | nM | 5.60 |
| CHEMBL5974041 | — | IC50 | = | 2890.0 | nM | 5.54 |
| CHEMBL5834019 | — | IC50 | = | 3250.0 | nM | 5.49 |
| CHEMBL5987537 | — | IC50 | = | 3890.0 | nM | 5.41 |
| CHEMBL5986659 | — | IC50 | = | 3985.0 | nM | 5.40 |
| CHEMBL5956068 | — | IC50 | = | 3990.0 | nM | 5.40 |