Assay Detail
Binding
CHEMBL4845000
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Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis
24
Total Activities
24
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
Hepatitis A virus cellular receptor 2 (CHEMBL4630879) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 24 | 3.94 | 6.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4873902 | — | — | 1 | 6.60 |
| CHEMBL4848599 | — | — | 1 | 5.70 |
| CHEMBL4863477 | — | — | 1 | 5.00 |
| CHEMBL4860123 | — | — | 1 | 4.40 |
| CHEMBL4870128 | — | — | 1 | 4.40 |
| CHEMBL4870200 | — | — | 1 | 4.40 |
| CHEMBL4854696 | — | — | 1 | 4.40 |
| CHEMBL4852144 | — | — | 1 | 4.30 |
| CHEMBL4864057 | — | — | 1 | 4.05 |
| CHEMBL4871549 | — | — | 1 | 4.05 |
| CHEMBL4865760 | — | — | 1 | 3.89 |
| CHEMBL4866110 | — | — | 1 | 3.60 |
| CHEMBL4876694 | — | — | 1 | 3.48 |
| CHEMBL4876887 | — | — | 1 | 3.35 |
| CHEMBL1610810 | — | — | 1 | 3.34 |
| CHEMBL1462057 | — | — | 1 | 3.28 |
| CHEMBL69086 | — | — | 1 | 3.17 |
| CHEMBL4854485 | — | — | 1 | 3.13 |
| CHEMBL4864031 | — | — | 1 | 3.11 |
| CHEMBL1569082 | — | — | 1 | 3.09 |
| CHEMBL1576751 | — | — | 1 | 3.07 |
| CHEMBL2132792 | — | — | 1 | 2.85 |
| CHEMBL4867105 | — | — | 1 | - |
| CHEMBL330116 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4873902 | — | Kd | = | 250.0 | nM | 6.60 |
| CHEMBL4848599 | — | Kd | = | 2000.0 | nM | 5.70 |
| CHEMBL4863477 | — | Kd | = | 10000.0 | nM | 5.00 |
| CHEMBL4860123 | — | Kd | = | 40000.0 | nM | 4.40 |
| CHEMBL4870128 | — | Kd | = | 40000.0 | nM | 4.40 |
| CHEMBL4870200 | — | Kd | = | 40000.0 | nM | 4.40 |
| CHEMBL4854696 | — | Kd | = | 40000.0 | nM | 4.40 |
| CHEMBL4852144 | — | Kd | = | 50000.0 | nM | 4.30 |
| CHEMBL4864057 | — | Kd | = | 90000.0 | nM | 4.05 |
| CHEMBL4871549 | — | Kd | = | 90000.0 | nM | 4.05 |
| CHEMBL4865760 | — | Kd | = | 130000.0 | nM | 3.89 |
| CHEMBL4866110 | — | Kd | = | 250000.0 | nM | 3.60 |
| CHEMBL4876694 | — | Kd | = | 330000.0 | nM | 3.48 |
| CHEMBL4876887 | — | Kd | = | 450000.0 | nM | 3.35 |
| CHEMBL1610810 | — | Kd | = | 460000.0 | nM | 3.34 |
| CHEMBL1462057 | — | Kd | = | 530000.0 | nM | 3.28 |
| CHEMBL69086 | — | Kd | = | 670000.0 | nM | 3.17 |
| CHEMBL4854485 | — | Kd | = | 740000.0 | nM | 3.13 |
| CHEMBL4864031 | — | Kd | = | 780000.0 | nM | 3.11 |
| CHEMBL1569082 | — | Kd | = | 810000.0 | nM | 3.09 |
| CHEMBL1576751 | — | Kd | = | 850000.0 | nM | 3.07 |
| CHEMBL2132792 | — | Kd | = | 1400000.0 | nM | 2.85 |
| CHEMBL4867105 | — | Kd | > | 2000000.0 | nM | - |
| CHEMBL330116 | — | Kd | > | 2000000.0 | nM | - |