erb 041 profile

ERB 041: an estrogen receptor beta agonist; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	656954
CHEMBL ID	450940
SCHEMBL ID	1379424
MeSH ID	M0455112

Synonym
BIDD:ER0139 ,
2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
prinaberel
erb-041
way-202041
524684-52-4
D06631
prinaberel (usan/inn)
1X7B
DB06832
2-(3-fluoro-4-hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol
2-(3-fluoro-4-hydroxyphenyl)-7-vinylbenzo[d]oxazol-5-ol
bdbm50154055
CHEMBL450940 ,
pf-00913086
(4z)-4-(7-ethenyl-5-hydroxy-3h-1,3-benzoxazol-2-ylidene)-2-fluorocyclohexa-2,5-dien-1-one
FT-0667949
unii-a9c8mnf7ca
a9c8mnf7ca ,
5-benzoxazolol, 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-
prinaberel [usan:inn]
erb 041
7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)benzoxazol-5-ol
gtpl6700
2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazole-5-ol
2-(3-fluoro-4-hydroxyphenyl)-7-vinylbenzooxazol-5-ol
MQIMZDXIAHJKQP-UHFFFAOYSA-N
SCHEMBL1379424
prinaberel [usan]
prinaberel [inn]
CS-3887
7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-5-benzoxazolol
HY-14933
AKOS024458068
erb-041, >=98% (hplc)
NCGC00370919-02
7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
Q7243719
C75461
AS-56198
NCGC00370919-01
DTXSID301030354

Excerpt	Reference	Relevance
" Nor was a significant difference observed for ACR50 and ACR70 responses, health outcomes measures, CRP levels, and overall incidence of adverse events among all groups."	( Efficacy and safety of a selective estrogen receptor β agonist, ERB-041, in patients with rheumatoid arthritis: a 12-week, randomized, placebo-controlled, phase II study. Castañeda, S; Cutolo, M; Herrero-Beaumont, G; Roman-Blas, JA, 2010)	0.36

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
PPM1D protein	Homo sapiens (human)	Potency	41.5437	0.0052	9.4661	32.9993	AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	6.7412	0.0123	7.9835	43.2770	AID1645841
G	Vesicular stomatitis virus	Potency	26.8370	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	21.3174	0.0010	8.3798	61.1304	AID1645840
Interferon beta	Homo sapiens (human)	Potency	37.8670	0.0033	9.1582	39.8107	AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	26.8370	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	26.8370	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	26.8370	0.0123	8.9648	39.8107	AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Estrogen receptor beta	Homo sapiens (human)	IC50 (µMol)	0.0041	0.0041	0.0041	0.0041	AID977608
Chain A, Estrogen receptor beta	Homo sapiens (human)	IC50 (µMol)	0.0041	0.0041	0.0041	0.0041	AID977608
Chain A, Estrogen receptor beta	Homo sapiens (human)	IC50 (µMol)	0.0041	0.0041	0.0041	0.0041	AID977608
Chain A, Estrogen receptor beta	Homo sapiens (human)	IC50 (µMol)	0.0041	0.0041	0.0041	0.0041	AID977608
Chain A, Estrogen receptor 1 (alpha)	Homo sapiens (human)	IC50 (µMol)	0.0041	0.0041	0.0041	0.0041	AID977608
Estrogen receptor beta	Mus musculus (house mouse)	IC50 (µMol)	0.0037	0.0017	6.6360	10.0000	AID242354
Estrogen receptor	Homo sapiens (human)	IC50 (µMol)	1.2160	0.0000	0.7237	32.7000	AID242369
Estrogen receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.6180	0.0007	4.1521	14.1600	AID242327
Estrogen receptor	Mus musculus (house mouse)	IC50 (µMol)	0.7460	0.0332	6.1952	10.0000	AID242370
Estrogen receptor beta	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0031	0.0012	4.7652	14.1600	AID242314
Estrogen receptor beta	Homo sapiens (human)	IC50 (µMol)	0.0050	0.0001	0.5294	32.7000	AID242353; AID382409
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Estrogen receptor	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Estrogen receptor	Homo sapiens (human)
antral ovarian follicle growth	Estrogen receptor	Homo sapiens (human)
epithelial cell development	Estrogen receptor	Homo sapiens (human)
chromatin remodeling	Estrogen receptor	Homo sapiens (human)
regulation of DNA-templated transcription	Estrogen receptor	Homo sapiens (human)
signal transduction	Estrogen receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Estrogen receptor	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	Estrogen receptor	Homo sapiens (human)
androgen metabolic process	Estrogen receptor	Homo sapiens (human)
male gonad development	Estrogen receptor	Homo sapiens (human)
negative regulation of gene expression	Estrogen receptor	Homo sapiens (human)
positive regulation of phospholipase C activity	Estrogen receptor	Homo sapiens (human)
intracellular steroid hormone receptor signaling pathway	Estrogen receptor	Homo sapiens (human)
intracellular estrogen receptor signaling pathway	Estrogen receptor	Homo sapiens (human)
response to estradiol	Estrogen receptor	Homo sapiens (human)
regulation of toll-like receptor signaling pathway	Estrogen receptor	Homo sapiens (human)
negative regulation of smooth muscle cell apoptotic process	Estrogen receptor	Homo sapiens (human)
negative regulation of canonical NF-kappaB signal transduction	Estrogen receptor	Homo sapiens (human)
negative regulation of DNA-binding transcription factor activity	Estrogen receptor	Homo sapiens (human)
response to estrogen	Estrogen receptor	Homo sapiens (human)
positive regulation of DNA-templated transcription	Estrogen receptor	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Estrogen receptor	Homo sapiens (human)
fibroblast proliferation	Estrogen receptor	Homo sapiens (human)
positive regulation of fibroblast proliferation	Estrogen receptor	Homo sapiens (human)
stem cell differentiation	Estrogen receptor	Homo sapiens (human)
regulation of inflammatory response	Estrogen receptor	Homo sapiens (human)
positive regulation of DNA-binding transcription factor activity	Estrogen receptor	Homo sapiens (human)
RNA polymerase II preinitiation complex assembly	Estrogen receptor	Homo sapiens (human)
uterus development	Estrogen receptor	Homo sapiens (human)
vagina development	Estrogen receptor	Homo sapiens (human)
prostate epithelial cord elongation	Estrogen receptor	Homo sapiens (human)
prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis	Estrogen receptor	Homo sapiens (human)
regulation of branching involved in prostate gland morphogenesis	Estrogen receptor	Homo sapiens (human)
mammary gland branching involved in pregnancy	Estrogen receptor	Homo sapiens (human)
mammary gland alveolus development	Estrogen receptor	Homo sapiens (human)
epithelial cell proliferation involved in mammary gland duct elongation	Estrogen receptor	Homo sapiens (human)
protein localization to chromatin	Estrogen receptor	Homo sapiens (human)
cellular response to estradiol stimulus	Estrogen receptor	Homo sapiens (human)
negative regulation of miRNA transcription	Estrogen receptor	Homo sapiens (human)
regulation of epithelial cell apoptotic process	Estrogen receptor	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Estrogen receptor	Homo sapiens (human)
cellular response to estrogen stimulus	Estrogen receptor	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Estrogen receptor beta	Homo sapiens (human)
regulation of DNA-templated transcription	Estrogen receptor beta	Homo sapiens (human)
signal transduction	Estrogen receptor beta	Homo sapiens (human)
cell-cell signaling	Estrogen receptor beta	Homo sapiens (human)
negative regulation of cell growth	Estrogen receptor beta	Homo sapiens (human)
intracellular estrogen receptor signaling pathway	Estrogen receptor beta	Homo sapiens (human)
positive regulation of DNA-templated transcription	Estrogen receptor beta	Homo sapiens (human)
positive regulation of DNA-binding transcription factor activity	Estrogen receptor beta	Homo sapiens (human)
cellular response to estradiol stimulus	Estrogen receptor beta	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Estrogen receptor beta	Homo sapiens (human)
cellular response to estrogen stimulus	Estrogen receptor beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Estrogen receptor	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Estrogen receptor	Homo sapiens (human)
TFIIB-class transcription factor binding	Estrogen receptor	Homo sapiens (human)
transcription coregulator binding	Estrogen receptor	Homo sapiens (human)
transcription corepressor binding	Estrogen receptor	Homo sapiens (human)
transcription coactivator binding	Estrogen receptor	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Estrogen receptor	Homo sapiens (human)
chromatin binding	Estrogen receptor	Homo sapiens (human)
DNA-binding transcription factor activity	Estrogen receptor	Homo sapiens (human)
nuclear receptor activity	Estrogen receptor	Homo sapiens (human)
steroid binding	Estrogen receptor	Homo sapiens (human)
protein binding	Estrogen receptor	Homo sapiens (human)
calmodulin binding	Estrogen receptor	Homo sapiens (human)
beta-catenin binding	Estrogen receptor	Homo sapiens (human)
zinc ion binding	Estrogen receptor	Homo sapiens (human)
TBP-class protein binding	Estrogen receptor	Homo sapiens (human)
enzyme binding	Estrogen receptor	Homo sapiens (human)
protein kinase binding	Estrogen receptor	Homo sapiens (human)
nitric-oxide synthase regulator activity	Estrogen receptor	Homo sapiens (human)
nuclear estrogen receptor activity	Estrogen receptor	Homo sapiens (human)
nuclear estrogen receptor binding	Estrogen receptor	Homo sapiens (human)
estrogen response element binding	Estrogen receptor	Homo sapiens (human)
identical protein binding	Estrogen receptor	Homo sapiens (human)
ATPase binding	Estrogen receptor	Homo sapiens (human)
14-3-3 protein binding	Estrogen receptor	Homo sapiens (human)
sequence-specific double-stranded DNA binding	Estrogen receptor	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Estrogen receptor beta	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Estrogen receptor beta	Homo sapiens (human)
DNA binding	Estrogen receptor beta	Homo sapiens (human)
nuclear steroid receptor activity	Estrogen receptor beta	Homo sapiens (human)
nuclear receptor activity	Estrogen receptor beta	Homo sapiens (human)
steroid binding	Estrogen receptor beta	Homo sapiens (human)
protein binding	Estrogen receptor beta	Homo sapiens (human)
zinc ion binding	Estrogen receptor beta	Homo sapiens (human)
enzyme binding	Estrogen receptor beta	Homo sapiens (human)
nuclear estrogen receptor activity	Estrogen receptor beta	Homo sapiens (human)
estrogen response element binding	Estrogen receptor beta	Homo sapiens (human)
receptor antagonist activity	Estrogen receptor beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
nucleus	Estrogen receptor	Homo sapiens (human)
nucleoplasm	Estrogen receptor	Homo sapiens (human)
transcription regulator complex	Estrogen receptor	Homo sapiens (human)
cytoplasm	Estrogen receptor	Homo sapiens (human)
Golgi apparatus	Estrogen receptor	Homo sapiens (human)
cytosol	Estrogen receptor	Homo sapiens (human)
plasma membrane	Estrogen receptor	Homo sapiens (human)
membrane	Estrogen receptor	Homo sapiens (human)
chromatin	Estrogen receptor	Homo sapiens (human)
euchromatin	Estrogen receptor	Homo sapiens (human)
protein-containing complex	Estrogen receptor	Homo sapiens (human)
nucleus	Estrogen receptor	Homo sapiens (human)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Estrogen receptor beta	Homo sapiens (human)
nucleoplasm	Estrogen receptor beta	Homo sapiens (human)
mitochondrion	Estrogen receptor beta	Homo sapiens (human)
intracellular membrane-bounded organelle	Estrogen receptor beta	Homo sapiens (human)
chromatin	Estrogen receptor beta	Homo sapiens (human)
nucleus	Estrogen receptor beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (31)

Assay ID	Title	Year	Journal	Article
AID244177	Selectivity fold for estrogen receptor beta over estrogen receptor alpha	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID249799	Weight of mouse uterine when treated with compound at 50 mg/kg dose was determined	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID249802	Weight of mouse uterine when treated with compound at 100 mg/kg dose was determined	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID242353	Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID242314	Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID242327	Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID249818	Effect of combination of compound and testosterone propionate on androgen induced increase in ventral prostate weight; No change	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID243373	Regulation of IGFBP-4 MRNA in SAOS-2 cells expressing human beta Estrogen receptor in terms of percent activity, relative to 10 nM 17-beta-estradiol	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID242369	Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID1417088	Selectivity index, ratio of IC50 for full-length human ERalpha to IC50 for full length human ERbeta	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	Synthesis and evaluation of 4-cycloheptylphenols as selective Estrogen receptor-β agonists (SERBAs).
AID242354	Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID249810	Weight of rat uterine when treated with combination of compound and Ethynyl estradiol was determined	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID249794	Weight of rat uterine when treated with compound at 2 mg dose was determined	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID392848	Selectivity ratio of RBA for ERbeta to RBA for ERalpha	2009	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 19, Issue:4	Deconstructing estradiol: removal of B-ring generates compounds which are potent and subtype-selective estrogen receptor agonists.
AID382409	Binding affinity to ERbeta	2008	European journal of medicinal chemistry, Jan, Volume: 43, Issue:1	Classification of estrogen receptor-beta ligands on the basis of their binding affinities using support vector machine and linear discriminant analysis.
AID242370	Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1346856	Mouse Estrogen receptor-beta (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID1346894	Rat Estrogen receptor-alpha (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID1346880	Human Estrogen receptor-beta (3A. Estrogen receptors)	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
AID1346880	Human Estrogen receptor-beta (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID1346848	Rat Estrogen receptor-beta (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID1346845	Human Estrogen receptor-alpha (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID1346875	Mouse Estrogen receptor-alpha (3A. Estrogen receptors)	2008	Journal of immunology (Baltimore, Md. : 1950), Jan-01, Volume: 180, Issue:1	Selective estrogen receptor-beta agonists repress transcription of proinflammatory genes.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2004	Journal of the American Chemical Society, Nov-24, Volume: 126, Issue:46	Structure-based design of estrogen receptor-beta selective ligands.
AID1811	Experimentally measured binding affinity data derived from PDB	2004	Journal of the American Chemical Society, Nov-24, Volume: 126, Issue:46	Structure-based design of estrogen receptor-beta selective ligands.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	14 (43.75)	29.6817
2010's	14 (43.75)	24.3611
2020's	4 (12.50)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	2 (6.06%)	5.53%
Reviews	2 (6.06%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	29 (87.88%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.	2.02	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	2.05	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
aldosterone [no description available]	2.17	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	2.02	1	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.. androgen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.	2.02	1	0	steroid ester
medroxyprogesterone acetate [no description available]	2.03	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	2.44	2	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	9.02	23	2	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
androstane-3,17-diol Androstane-3,17-diol: The unspecified form of the steroid, normally a major metabolite of TESTOSTERONE with androgenic activity. It has been implicated as a regulator of gonadotropin secretion.	2.15	1	0	17-hydroxy steroid; 3-hydroxy steroid; androstanoid
promegestone Promegestone: A synthetic progestin which is useful for the study of progestin distribution and progestin tissue receptors, as it is not bound by transcortin and binds to progesterone receptors with a higher association constant than progesterone.. promegestone : A progestin consisting of 17beta-propionylestra-4,9-dien-3-one substituted at position 17 by a methyl group.	2.17	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin
raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.	3.27	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
2,3-bis(4-hydroxyphenyl)-propionitrile 2,3-bis(4-hydroxyphenyl)-propionitrile: a selective estrogen receptor beta agonist or modulator. also called DPN compound. 2,3-bis(4-hydroxyphenyl)propionitrile : A nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta).	2.49	2	0	nitrile; phenols	estrogen receptor agonist
fulvestrant Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.. fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.	2.03	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
liquiritigenin liquiritigenin: structure given in first source; isolated from Pterocarpus marsupium. 4',7-dihydroxyflavanone : A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7.. liquiritigenin : A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta.	2.53	2	0	4',7-dihydroxyflavanone	hormone agonist; plant metabolite
metribolone Metribolone: A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.. 17beta-hydroxy-17-methylestra-4,9,11-trien-3-one : A synthetic non-aromatisable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.	2.17	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid	androgen
tanaproget tanaproget: structure in first source	2.03	1	0
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	2.17	1	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
genistein [no description available]	2.44	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
way 202196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile: structure in first source	2.44	2	0
l-165041 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.	2.17	1	0	aromatic ketone
way 200070 WAY 200070: a neuroprotective agent; structure in first source	2.99	4	0

Condition	Indicated	Relationship Strength	Studies	Trials
Low Bone Density [description not available]	0	2.42	2	0
Bone Diseases, Metabolic Diseases that affect the METABOLIC PROCESSES of BONE TISSUE.	0	2.42	2	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	2.04	1	0
Innate Inflammatory Response [description not available]	0	2.97	4	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.97	4	0
Congenital Zika Syndrome [description not available]	0	2.25	1	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	2.97	4	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	2.25	1	0
Metastase [description not available]	0	2.25	1	0
Colorectal Cancer [description not available]	0	2.25	1	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	0	2.25	1	0
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	0	2.25	1	0
Cancer of Ovary [description not available]	0	2.15	1	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	0	2.15	1	0
Endometrioma An enlarged area of ENDOMETRIOSIS that resembles a tumor. It is usually found in the OVARY. When it is filled with old blood, it is known as a chocolate cyst.	0	3.67	3	0
Endometriosis A condition in which functional endometrial tissue is present outside the UTERUS. It is often confined to the PELVIS involving the OVARY, the ligaments, cul-de-sac, and the uterovesical peritoneum.	1	5.67	3	0
Adenomyosis The extension of endometrial tissue (ENDOMETRIUM) into the MYOMETRIUM. It usually occurs in women in their reproductive years and may result in a diffusely enlarged uterus with ectopic and benign endometrial glands and stroma.	0	3.09	1	0
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	0	2.5	2	0
Cancer of Skin [description not available]	0	2.5	2	0
Skin Neoplasms Tumors or cancer of the SKIN.	0	2.5	2	0
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	0	2.11	1	0
Invasiveness, Neoplasm [description not available]	0	2.11	1	0
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	0	2.11	1	0
Allodynia [description not available]	0	2.47	2	0
Breast Cancer [description not available]	0	2.05	1	0
Breast Neoplasms Tumors or cancer of the human BREAST.	0	2.05	1	0
Blood Poisoning [description not available]	0	2.05	1	0
Pneumonia, Pneumococcal A febrile disease caused by STREPTOCOCCUS PNEUMONIAE.	0	2.05	1	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	2.05	1	0
Rheumatoid Arthritis [description not available]	0	5.6	3	2
Bilateral Headache [description not available]	0	4.36	1	1
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	0	5.6	3	2
Headache The symptom of PAIN in the cranial region. It may be an isolated benign occurrence or manifestation of a wide variety of HEADACHE DISORDERS.	0	4.36	1	1
Adjuvant Arthritis [description not available]	0	2.42	2	0
Bowel Diseases, Inflammatory [description not available]	0	2.01	1	0
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	0	2.01	1	0
Weight Gain Increase in BODY WEIGHT over existing weight.	0	2.01	1	0
Ache [description not available]	0	2.03	1	0
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	0	2.03	1	0
Adenoma, Prostatic [description not available]	0	2.03	1	0
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	0	2.03	1	0
Asthma, Bronchial [description not available]	0	2.04	1	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	0	2.04	1	0

erb 041

Description

Cross-References

Synonyms (42)

Research Excerpts

Toxicity

Bioavailability

Protein Targets (19)

Potency Measurements

Inhibition Measurements

Biological Processes (88)

Molecular Functions (46)

Ceullar Components (28)

Bioassays (31)

Research

Studies (32)

Market Indicators

Research Demand Index: 18.47

Study Types

erb 041

Description

Cross-References

Synonyms (42)

Research Excerpts

Toxicity

Bioavailability

Protein Targets (19)

Potency Measurements

Inhibition Measurements

Biological Processes (88)

Molecular Functions (46)

Ceullar Components (28)

Bioassays (31)

Research

Studies (32)

Market Indicators

Research Demand Index: 18.47

Study Types

Related Drugs (21)

Related Conditions (43)