Brief Information of the Compound and Protein
Compound Name
2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol
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PubChem ID
CID: 5035
SID: 14834427
Canonical SMILES
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
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Compound Formula C28H27NO4S
Compound Structure
Protein Name
Estrogen receptor beta
Protein Classification
Transcription factor
>
Nuclear receptor
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Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
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Nuclear hormone receptor subfamily 3 group A member 2
Uniprot ID
Q92731
Gene Name
ESR2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  2
1
IC50 = 260 nM
   TI
   LI
   LO
   TS
2
IC50 = 341 nM
   TI
   LI
   LO
   TS
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 260 nM
2 IC50 = 1.6 nM
3 IC50 = 1.9 nM
4 IC50 = 8.2 nM
5 IC50 = 12 nM
6 IC50 = 18.9 nM
7 IC50 = 43 nM
8 IC50 = 470 nM
9 IC50 = 557 nM
10 IC50 = 1420 nM
11 IC50 = 7430 nM
12 Ka = 41.24 nM
13 Ki = 2.74 nM
14 Ki = 4.3 nM
15 Ki = 10 nM
16 Ki = 23 nM