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: | 32 | |
|---|---|---|
| Name: | 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)- | |
| Description: | ||
| Labels: | ||
| CAS: | 57-63-6 | |
| InChi Code: | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20-/m1/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| 2.28 |
experimental value |
| 1.16 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |