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:141505-33-1
Name:Levosimendan
Description:
Labels:eval
CAS:141505-33-1
InChi Code:InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,12,14H,6H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.170101816

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