TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T80896 Estrogen receptor beta D0D1SG Prednisolone Approved 5755 C21H28O5 360.4 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O IC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta D0SZ1G AZD9567 Phase 1 121248172 C27H28F2N4O3 494.5 CC(C)[C@@H]([C@@H](C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F IC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta B3XA7L (3S,4R)-1,3-Bis(4-hydroxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one Investigative 118724554 C24H23NO6 421.4 COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O IC50 = 144000 nM Poor binder T80896 Estrogen receptor beta B4EG5X Benzyl-(2-isobutylamino-6-styryl-pyrimidin-4-yl)-carbamic acid tert-butyl ester Investigative 25131898 C28H34N4O2 458.6 CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)/C=C/C3=CC=CC=C3 Ki = 132000 nM Poor binder T80896 Estrogen receptor beta B5GTR6 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-2-sulfanylidene-1H-quinazolin-4-one Investigative 11565917 C15H12N2O4S 316.3 COC1=CC2=C(C(=C1)O)C(=O)N(C(=S)N2)C3=CC=C(C=C3)O IC50 = 72848 nM Poor binder T80896 Estrogen receptor beta B5WPY4 Emodin-8-glucoside Investigative 99649 C21H20O10 432.4 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O IC50 = 62000 nM Poor binder T80896 Estrogen receptor beta B64QOG Chembl4293810 Investigative 124088406 C14H20O2 220.31 C1CC(CCC(C1)C2=CC=C(C=C2)O)CO EC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta B7A9SV (+)-(2R)Kazinol I Investigative 46871916 C25H30O4 394.5 CC(=CCC1=C(C(=C(C=C1[C@H]2CCC3=C(O2)C=C(C=C3)O)O)O)CC=C(C)C)C IC50 = 96000 nM Poor binder T80896 Estrogen receptor beta B82CLA 7-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydroquinazoline-5-carbonitrile Investigative 11572694 C15H9N3O3 279.25 C1=CC(=CC=C1N2C=NC3=CC(=CC(=C3C2=O)C#N)O)O IC50 = 73677 nM Poor binder T80896 Estrogen receptor beta B9AMF7 2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-6-isoquinolinol Investigative 52937308 C19H17NO3S 339.4 C1CN(CC2=C1C=C(C=C2)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43 EC50 = 60000 nM Poor binder T80896 Estrogen receptor beta BD35TU N'-[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide Investigative 135459005 C18H13BrN2O3 385.2 C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O)O IC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta BG0EN4 3-[(3R,3Ar,6S,7S,8R,9aS,9bS)-8-hydroxy-3-[(E,2R)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid Investigative 73347354 C31H48O5 500.7 C[C@H](CC/C=C(\\C)/C(=O)OC)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2C[C@H]([C@H]([C@]3(C)CCC(=O)O)C(=C)C)O)C)C EC50 = 72400 nM Poor binder T80896 Estrogen receptor beta BL7OI3 (4R)-1,4-Bis(4-hydroxyphenyl)azetidin-2-one Investigative 118724546 C15H13NO3 255.27 C1[C@@H](N(C1=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O IC50 = 56000 nM Poor binder T80896 Estrogen receptor beta BLYA84 Sulfamic acid 2-adamantan-2-ylidenemethyl-benzooxazol-6-yl ester Investigative 9820272 C18H20N2O4S 360.4 C1C2CC3CC1CC(C2)C3=CC4=NC5=C(O4)C=C(C=C5)OS(=O)(=O)N EC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta BN6TX5 7-Hydroxy-2-naphthyl 3-methylbenzoate Investigative 837853 C18H14O3 278.3 CC1=CC(=CC=C1)C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 IC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta BY1OB7 7-Hydroxy-2-naphthyl 2-methoxybenzoate Investigative 837838 C18H14O4 294.3 COC1=CC=CC=C1C(=O)OC2=CC3=C(C=CC(=C3)O)C=C2 IC50 ~ 100000 nM Poor binder T80896 Estrogen receptor beta BYB2K9 5,7-Dihydroxy-3-(6-oxo-1H-pyridin-3-yl)quinazolin-4-one Investigative 11572578 C13H9N3O4 271.23 C1=CC(=O)NC=C1N2C=NC3=C(C2=O)C(=CC(=C3)O)O IC50 = 51696 nM Poor binder T80896 Estrogen receptor beta BZ8FY4 N'-[(E)-(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]naphtho[2,1-b]furan-2-carbohydrazide Investigative 135571931 C22H18N2O5 390.4 COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 IC50 ~ 100000 nM Poor binder