Chymotrypsin C
Target ID: CHEMBL2386
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FUROSEMIDE | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | Ki: 100000.0 nM |  |
| INAMRINONE | Nc1cc(-c2ccncc2)c[nH]c1=O | Mean ED50: 0.389 mg kg-1 |  |
| GUAIFENESIN | COc1ccccc1OCC(O)CO | Inhibition: 5.0 % |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| TRIMETHOPRIM | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | IC50: 12000.0 nM |  |
| CONGO RED | Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+] | Kd: 1500.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]OC | 4.92 | 60 |  |
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 39 |  |
| [14*]c1oc2cc(O)cc(O)c2c(=O)c1O | 4.48 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 4.48 | 39 |  |
| [16*]c1cc([16*])c([16*])c([16*])c1 | 4.92 | 39 |  |