BindingDB BDBM19441 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol::CHEMBL81::Evista::Keoxifene::RALOXIFENE HYDROCHLORIDE::Raloxifene::Raloxifene (7)::Raloxifene, 6::[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone::cid_11071264

BDBM19441 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol::CHEMBL81::Evista::Keoxifene::RALOXIFENE HYDROCHLORIDE::Raloxifene::Raloxifene (7)::Raloxifene, 6::[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone::cid_11071264

SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N

Data 27 KI 97 IC50 2 Kd 11 EC50

PDB links: 10 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 19441

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding affinity for Human Estrogen receptor-betaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 3.40nMAssay Description:Binding affinity foor Rat Estrogen receptor-betaMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Estrogen receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 0.700nMAssay Description:Binding affinity for Rat Estrogen receptor-alphaMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding affinity for Human Estrogen receptor-alphaMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding affinity against human estrogen receptor alpha in competitive binding assayMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor alphaMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding affinity towards human recombinant Estrogen receptor beta was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding affinity towards human recombinant Estrogen receptor alpha was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding potency for human ER alphaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding potency for human ER betaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding potency for human ER alphaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding potency for human ER betaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Binding affinity towards human estrogen receptor beta (ERbeta)More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Binding affinity towards human estrogen receptor alphaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor betaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Inhibition of binding to recombinant human estrogen receptor betaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Inhibition of bindign to recombinant human estrogen receptor alphaMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.90nMAssay Description:Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hrMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 1.80nMAssay Description:Inhibition of binding to recombinant human ERalpha by scintillation proximity assayMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 12nMAssay Description:Inhibition of binding to recombinant human ERbeta by scintillation proximity assayMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

PNG

BDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)

IC50: 4nMAssay Description:In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 4/60More data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 131 hits

Targets 24▿
- Estrogen receptor 45
- Estrogen receptor beta 43
- Aldehyde oxidase 9
- Phospholipase D1 6
- Aldehyde oxidase 1 4
- Cruzipain 3
- Lysine-specific histone demethylase 1A 2
- Ubiquitin-conjugating enzyme E2 N 2
- Cytochrome P450 3A4 2
- C-8 sterol isomerase ERG2 1
- Complement C5 1
- 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase 1
- Amine oxidase [flavin-containing] B 1
- Sigma non-opioid intracellular receptor 1 1
- Phospholipase D2 1
- Amine oxidase [flavin-containing] A 1
- Progesterone receptor 1
- Phospholipase 1
- Bile acid receptor 1
- HLA class I histocompatibility antigen, A alpha chain 1
- Bcl-2-related protein A1 1
- Nuclear receptor subfamily 1 group I member 2 1
- 5-hydroxytryptamine receptor 2B 1
- 5-hydroxytryptamine receptor 6 1
- ...
Publications 50▿
- Nat Chem Biol 5: 108-17 (2009) 5
- J Med Chem 53: 8441-60 (2010) 5
- Bioorg Med Chem Lett 13: 479-83 (2003) 4
- Eur J Med Chem 227: (2022) 4
- J Med Chem 52: 7544-69 (2009) 4
- Bioorg Med Chem Lett 13: 1907-10 (2003) 3
- Bioorg Med Chem Lett 10: 147-51 (2000) 3
- Bioorg Med Chem Lett 14: 2551-4 (2004) 3
- Eur J Med Chem 231: (2022) 3
- ACS Med Chem Lett 3: 207-210 (2012) 3
- ACS Chem Biol 10: 421-32 (2015) 3
- J Med Chem 44: 1654-7 (2001) 3
- J Med Chem 48: 4754-64 (2005) 3
- J Med Chem 64: 13025-13037 (2021) 3
- Bioorg Med Chem Lett 12: 2875-8 (2002) 2
- J Med Chem 49: 3056-9 (2006) 2
- Bioorg Med Chem Lett 15: 5124-8 (2005) 2
- Bioorg Med Chem Lett 64: (2022) 2
- Drug Metab Dispos 41: 24-9 (2012) 2
- Bioorg Med Chem 21: 4266-78 (2013) 2
- J Med Chem 53: 4259-65 (2010) 2
- Bioorg Med Chem Lett 14: 2741-5 (2004) 2
- Bioorg Med Chem 27: 1952-1961 (2019) 2
- J Med Chem 48: 6772-5 (2005) 2
- J Agric Food Chem 59: 4860-7 (2011) 2
- J Med Chem 50: 2682-92 (2007) 2
- Bioorg Med Chem 24: 759-67 (2016) 2
- J Med Chem 45: 1399-401 (2002) 2
- Bioorg Med Chem Lett 15: 1505-7 (2005) 2
- Bioorg Med Chem Lett 14: 1417-21 (2004) 2
- Bioorg Med Chem Lett 20: 5258-61 (2010) 2
- J Med Chem 47: 2171-5 (2004) 2
- J Med Chem 45: 5492-505 (2002) 2
- Bioorg Med Chem Lett 15: 2891-3 (2005) 2
- J Med Chem 48: 5989-6003 (2005) 2
- J Med Chem 48: 364-79 (2005) 2
- Bioorg Med Chem Lett 11: 1939-42 (2001) 2
- Bioorg Med Chem Lett 13: 1919-22 (2003) 2
- Bioorg Med Chem Lett 18: 5075-7 (2008) 2
- Bioorg Med Chem Lett 14: 3865-8 (2004) 2
- Bioorg Med Chem Lett 14: 3861-4 (2004) 2
- J Med Chem 46: 2945-57 (2003) 2
- Bioorg Med Chem Lett 15: 107-13 (2004) 2
- J Med Chem 55: 4896-933 (2012) 1
- Bioorg Med Chem 27: (2019) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- Bioorg Med Chem Lett 28: 2837-2841 (2018) 1
- Bioorg Med Chem Lett 15: 3912-6 (2005) 1
- ...
Institutions 29▿
- Merck Research Laboratories 22
- Vanderbilt University 8
- Novartis Pharmaceuticals 6
- Wyeth-Ayerst Research 6
- Johnson & Johnson Pharmaceutical Research & Development 6
- Pfizer 6
- Eli Lilly 5
- University Of Kragujevac 4
- Glaxosmithkline 4
- Chinese Academy Of Sciences 4
- University Of California 4
- TBA 3
- Hangzhou Normal University 3
- Burnham Center For Chemical Genomics 3
- Nova University Lisbon 3
- University Of Innsbruck 3
- Comsats University Islamabad 2
- City Of Hope National Medical Center 2
- The University Of Tokyo 2
- University Of Delaware 2
- Lilly Research Laboratories 2
- Washington State University 2
- Glaxo Wellcome Research And Development 2
- Bayer 2
- University Of California San Francisco 2
- University of Illinois At Chicago 2
- Bayer Research Center 2
- Indian Institute Of Technology Bhubaneswar 1
- University Of Illinois At Chicago 1
- ...
Affinity: 0.030 to 1.5E+6 nM▿
- Ki 27
- IC50 97
- Kd 2
- EC50 11
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1