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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

ID Name logRBA Details
2-OHFl 2-hydroxyfluorene -0.893 View
2-OHPh 2-Hydroxyphenanthrene -0.635 View
Frt Fluoranthene -2.301 View
3-OHFR 3-hydroxyfluoranthene -0.684 View
Py Pyrene -2.398 View
1-OHPy 1-hydroxypyrene -0.959 View
BaA benzo[a]anthracene -2.301 View
1-OHBaA 1-hydroxybenzo[a]anthracene -1.328 View
2-OHBaA 2-hydroxybenzo[a]anthracene -0.863 View
3-OHBaA 3-hydroxybenzo[a]anthracene -0.642 View
4-OHBaA 4-hydroxybenzo[a]anthracene -0.532 View
5-OHBaA 5-hydroxybenzo[a]anthracene -1.237 View
9-OHBaA 9-hydroxybenzo[a]anthracene -0.387 View
10-OHBaA 10-hydroxybenzo[a]anthracene -0.53 View
11-OHBaA 11-hydroxybenzo[a]anthracene -1.569 View
BcPh Benzo[c]phenanthrene -2.699 View
1-OHBcPh 1-hydroxybenzo[c]phenanthrene -3 View
2-OHBcPh 2-hydroxybenzo[c]phenanthrene -0.733 View
3-OHBcPh 3-hydroxybenzo[c]phenanthrene -0.462 View
4-OHBcPh 4-hydroxybenzo[c]phenanthrene -0.678 View
5-OHBcPh 5-hydroxybenzo[c]phenanthrene -1.357 View
Ch Chrysene -2.523 View
1-OHCh 1-hydroxychrysene -0.9 View
2-OHCh 2-hydroxychrysene -0.391 View
3-OHCh 3-hydroxychrysene -0.86 View
4-OHCh 4-hydroxychrysene -1.921 View
6-OHCh 6-hydroxychrysene -1.046 View
10-OHBbFR 10-hydroxybenzo[b]fluoranthene -0.939 View
3-OHBbFR 3-hydroxybenzo[b]fluoranthene -0.824 View
9-OHBbFR 9-hydroxybenzo[b]fluoranthene -0.688 View
1-OHBaP 1-hydroxybenzo[a]pyrene -0.728 View
3-OHBaP 3-hydroxybenzo[a]pyrene -0.405 View
8-OHBaP 8-hydroxybenzo[a]pyrene -0.425 View
4-OHBaP 4-hydroxybenzo[a]pyrene -0.932 View
11-OHBgCh 11-hydroxybenzo[g]chrysene -0.706 View
13-OHBgCh 13-hydroxybenzo[g]chrysene -0.87 View

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. http://dx.doi.org/10.1248/jhs.53.562