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:76963-41-2
Name:Nizatidine
Description:
Labels:eval
CAS:76963-41-2
InChi Code:InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h9H,4-8H2,1-3H3,(H,13,14)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.027938521

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