Beta-1 adrenergic receptor
Target ID: CHEMBL213
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| INAMRINONE | Nc1cc(-c2ccncc2)c[nH]c1=O | Mean ED50: 0.389 mg kg-1 |  |
| ATENOLOL | CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 | Pc: 1000000.0 cm s-1 |  |
| ACEBUTOLOL | CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 | LD50: 76.0 mg.kg-1 |  |
| HYDROCHLOROTHIAZIDE | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | IC50: 181970085860998.25 nM |  |
| MILRINONE | Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 | Mean ED50: 0.037 mg kg-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=c1ccc(-c2ccncc2)c[nH]1 | None | 62 |  |
| [16*]c1ccncc1 | None | 62 |  |
| [16*]c1cc(C#N)c(=O)[nH]c1C | None | 39 |  |
| O=S1(=O)NCNc2ccccc21 | -5.26 | 33 |  |
| NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | -5.26 | 33 |  |