Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 28395-03-1 | |
|---|---|---|
| Name: | Bumetanide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 28395-03-1 | |
| InChi Code: | InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.122868212 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |