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: | 30 | |
|---|---|---|
| Name: | (8alpha,9beta,13alpha,14beta)-estra-1,3,5(10)-trien-3-ol | |
| Description: | ||
| Labels: | ||
| CAS: | 53-63-4 | |
| InChi Code: | InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16+,17-,18-/m0/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| 1.14 |
experimental value |
| 1.07 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |