10967/234 - QDB Compounds

QsarDB Repository

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:56974-61-9
Name:Gabexate mesilate
Description:
Labels:eval
CAS:56974-61-9
InChi Code:InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.048061984

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)