Assay Detail
Binding
CHEMBL4305440
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Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature incubated for 2 hrs by SYPRO orange dye-based thermal shift assay
14
Total Activities
14
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 |
Publication
Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Delta Tm | 10 | - | - |
| IC50 | 4 | 8.04 | 8.35 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4437384 | — | — | 1 | 8.35 |
| CHEMBL4472035 | — | — | 1 | 7.94 |
| CHEMBL4464994 | — | — | 1 | 7.94 |
| CHEMBL4462680 | — | — | 1 | 7.94 |
| CHEMBL4443905 | — | — | 1 | - |
| CHEMBL4555169 | — | — | 1 | - |
| CHEMBL4437401 | — | — | 1 | - |
| CHEMBL2431768 | LCL-161 | 2.0 | 1 | - |
| CHEMBL2063869 | GDC-0152 | 1.0 | 1 | - |
| CHEMBL4545874 | — | — | 1 | - |
| CHEMBL4277819 | — | — | 1 | - |
| CHEMBL4475136 | — | — | 1 | - |
| CHEMBL234345 | — | — | 1 | - |
| CHEMBL4283320 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4437384 | — | IC50 | = | 4.5 | nM | 8.35 |
| CHEMBL4472035 | — | IC50 | = | 11.5 | nM | 7.94 |
| CHEMBL4464994 | — | IC50 | = | 11.5 | nM | 7.94 |
| CHEMBL4462680 | — | IC50 | = | 11.5 | nM | 7.94 |
| CHEMBL4443905 | — | Delta Tm | = | 35.0 | degrees C | - |
| CHEMBL4555169 | — | Delta Tm | = | 7.5 | degrees C | - |
| CHEMBL4437401 | — | Delta Tm | = | 9.5 | degrees C | - |
| CHEMBL2431768 | LCL-161 | Delta Tm | = | 14.0 | degrees C | - |
| CHEMBL2063869 | GDC-0152 | Delta Tm | = | 15.0 | degrees C | - |
| CHEMBL4545874 | — | Delta Tm | = | 8.5 | degrees C | - |
| CHEMBL4277819 | — | Delta Tm | = | 31.0 | degrees C | - |
| CHEMBL4475136 | — | Delta Tm | = | 35.5 | degrees C | - |
| CHEMBL234345 | — | Delta Tm | = | 5.5 | degrees C | - |
| CHEMBL4283320 | — | Delta Tm | = | 13.5 | degrees C | - |