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: | 42399-41-7 | |
|---|---|---|
| Name: | (+)-Diltiazem | |
| Description: | ||
| Labels: | eval | |
| CAS: | 42399-41-7 | |
| InChi Code: | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.180391797 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |