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: | 76420-72-9 | |
|---|---|---|
| Name: | Enalapril acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 76420-72-9 | |
| InChi Code: | InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.046316563 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |