10967/224 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.

Compound

ID:34
Name:Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-
Description:
Labels:
CAS:58-72-0
InChi Code:InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H

Properties

logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]

ValueSource or prediction
-2.78

experimental value

-3.45

QSAR: Model for estrogen receptor relative binding affinity (Training set)