10967/187 - QDB Compounds

QsarDB Repository

Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.

36 compounds | Property logRBA: Relative binding affinity to hERa i

IDNamelogRBADetails
2-OHFl2-hydroxyfluorene-0.893View
2-OHPh2-Hydroxyphenanthrene-0.635View
FrtFluoranthene-2.301View
3-OHFR3-hydroxyfluoranthene-0.684View
PyPyrene-2.398View
1-OHPy1-hydroxypyrene-0.959View
BaAbenzo[a]anthracene-2.301View
1-OHBaA1-hydroxybenzo[a]anthracene-1.328View
2-OHBaA2-hydroxybenzo[a]anthracene-0.863View
3-OHBaA3-hydroxybenzo[a]anthracene-0.642View
4-OHBaA4-hydroxybenzo[a]anthracene-0.532View
5-OHBaA5-hydroxybenzo[a]anthracene-1.237View
9-OHBaA9-hydroxybenzo[a]anthracene-0.387View
10-OHBaA10-hydroxybenzo[a]anthracene-0.53View
11-OHBaA11-hydroxybenzo[a]anthracene-1.569View
BcPhBenzo[c]phenanthrene-2.699View
1-OHBcPh1-hydroxybenzo[c]phenanthrene-3View
2-OHBcPh2-hydroxybenzo[c]phenanthrene-0.733View
3-OHBcPh3-hydroxybenzo[c]phenanthrene-0.462View
4-OHBcPh4-hydroxybenzo[c]phenanthrene-0.678View
5-OHBcPh5-hydroxybenzo[c]phenanthrene-1.357View
ChChrysene-2.523View
1-OHCh1-hydroxychrysene-0.9View
2-OHCh2-hydroxychrysene-0.391View
3-OHCh3-hydroxychrysene-0.86View
4-OHCh4-hydroxychrysene-1.921View
6-OHCh6-hydroxychrysene-1.046View
10-OHBbFR10-hydroxybenzo[b]fluoranthene-0.939View
3-OHBbFR3-hydroxybenzo[b]fluoranthene-0.824View
9-OHBbFR9-hydroxybenzo[b]fluoranthene-0.688View
1-OHBaP1-hydroxybenzo[a]pyrene-0.728View
3-OHBaP3-hydroxybenzo[a]pyrene-0.405View
8-OHBaP8-hydroxybenzo[a]pyrene-0.425View
4-OHBaP4-hydroxybenzo[a]pyrene-0.932View
11-OHBgCh11-hydroxybenzo[g]chrysene-0.706View
13-OHBgCh13-hydroxybenzo[g]chrysene-0.87View

Bibliography

  1. Hayakawa, K.; Onoda, Y.; Tachikawa, C.; Hosoi, S.; Yoshita, M.; Chung, S. W.; Kizu, R.; Toriba, A.; Kameda, T.; Tang, N. Estrogenic/Antiestrogenic Activities of Polycyclic Aromatic Hydrocarbons and Their Monohydroxylated Derivatives by Yeast Two-Hybrid Assay. Journal of Health Science 2007, 53, 562-570. https://doi.org/10.1248/jhs.53.562