Brief Information of the Compound and Protein
Compound Name
Bisphenol A (BPA)
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PubChem ID
CID: 6623
SID: 125299300
Canonical SMILES
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
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Compound Formula C15H16O2
Compound Structure
Protein Name
Estrogen receptor
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 3
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Nuclear hormone receptor subfamily 3 group A
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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 Homo sapiens (Human)  3
1
EC50 = 1689 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 797 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 2271 nM
   TI
   LI
   LO
   TS
2
Ki = 649 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 504 nM