Brief Information of the Compound and Protein
Compound Name
 Compound Info 
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
 Protein Info 
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
>
Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.66 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.18 nM
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 2.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 22 nM
   TI
   LI
   LO
   TS
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 24 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 222 nM
   TI
   LI
   LO
   TS
2
IC50 > 100 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.553 nM
   TI
   LI
   LO
   TS
2
Ki = 0.158 nM
   TI
   LI
   LO
   TS
CL000078 T-47D
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 22 nM
2 IC50 = 0.47 nM
3 IC50 = 0.73 nM
4 IC50 = 0.74 nM
5 IC50 = 0.89 nM
6 IC50 = 1.8 nM
7 IC50 = 4 nM
8 IC50 = 7 nM
9 IC50 = 20.6 nM
10 IC50 = 54 nM
11 Ka = 0.17 nM
12 Ki = 0.22 nM
13 Ki = 0.37 nM
14 Ki = 0.38 nM
15 Ki = 0.4 nM
16 Ki = 0.43 nM
17 Ki = 2 nM