Target ID: CHEMBL1955711
Organism: Homo sapiens
Type: SINGLE PROTEIN
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| METHOTREXATE | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | ID50: 6.2 nM | ![]() |
| THEOPHYLLINE | Cn1c(=O)c2[nH]cnc2n(C)c1=O | ED50: 18.5 mg.kg-1 | ![]() |
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 8.21 | 39 | ![]() |
| [5*]N[5*] | 8.21 | 39 | ![]() |
| [4*]C[8*] | 8.21 | 39 | ![]() |
| [5*]N([5*])C | 8.21 | 39 | ![]() |
| [16*]c1ccc([16*])cc1 | 8.21 | 39 | ![]() |