Reaction Details | |||
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Target | Estrogen receptor | ||
Ligand | BDBM50589452 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2193605 (CHEMBL5105965) | ||
EC50 | >10000±n/a nM | ||
Citation | Wetzel, EA; Marks, KJ; Gleason, AA; Brown-Ford, S; Reid, TE; Chaudhury, S; Lindeman, S; Sem, DS; Donaldson, WA Discovery of two novel (4-hydroxyphenyl) substituted polycyclic carbocycles as potent and selective estrogen receptor beta agonists. Bioorg Med Chem Lett73:0 (2022) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Estrogen receptor | |||
Name: | Estrogen receptor | ||
Synonyms: | ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1 | ||
Type: | Protein | ||
Mol. Mass.: | 66230.44 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03372 | ||
Residue: | 595 | ||
Sequence: |
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BDBM50589452 | |||
n/a | |||
Name | BDBM50589452 | ||
Synonyms: | CHEMBL5184751 | ||
Type | Small organic molecule | ||
Emp. Form. | C17H22O2 | ||
Mol. Mass. | 258.3554 | ||
SMILES | OCC12CC3CC(C1)C(C(C3)C2)c1ccc(O)cc1 |TLB:1:2:5:8.9.10,12:8:5:2.3.7,THB:11:9:5:2.3.7,11:2:5:8.9.10,3:4:8:11.2.7,3:2:8:4.5.10,(4.67,4.29,;3.15,4.05,;2.78,2.55,;4.11,1.87,;3.97,.53,;3.05,-.72,;1.63,-.15,;1.81,1.56,;.11,-.41,;1.02,.84,;2.45,.27,;1.15,2.08,;-1.08,-1.38,;-.84,-2.9,;-2.03,-3.87,;-3.47,-3.32,;-4.67,-4.29,;-3.72,-1.81,;-2.53,-.83,)| | ||
Structure |