BindingDB

null

SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1

InChI Key InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50042944

Beta-secretase 1(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

BDBM50042944((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)copy SMILEScopy InChI

IC50: 3.30E+4nMpH: 4.5 T: 2°CAssay Description:The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(...More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2DR2TCJPubMed

Beta-secretase 1(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

BDBM50042944((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)copy SMILEScopy InChI

IC50: 5.15E+4nMAssay Description:Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2QR50K7PubMed

Beta-secretase 1(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

BDBM50042944((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)copy SMILEScopy InChI

IC50: 3.30E+4nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair

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UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q29Z97T4

Targets 30 ▿
- Neuraminidase 5
- Beta-secretase 1 3
- Integrase 2
- Polyunsaturated fatty acid 5-lipoxygenase 2
- Tyrosine-protein phosphatase non-receptor type 1 2
- Amine oxidase [flavin-containing] A 2
- Aldo-keto reductase family 1 member B1 2
- NACHT, LRR and PYD domains-containing protein 3 2
- Estrogen receptor 1
- Tyrosyl-DNA phosphodiesterase 1 1
- Amine oxidase [flavin-containing] B 1
- Amyloid-beta precursor protein 1
- Collagenase 3 1
- Bcl-2-like protein 11 1
- Matrix metalloproteinase-9 1
- 17-beta-hydroxysteroid dehydrogenase type 2 1
- 17-beta-hydroxysteroid dehydrogenase type 1 1
- Neuronal acetylcholine receptor subunit alpha-7 1
- Aromatase 1
- Xanthine dehydrogenase/oxidase 1
- Protein disulfide-isomerase 1
- Proteasome subunit beta type-5 1
- 72 kDa type IV collagenase 1
- Prostaglandin G/H synthase 1/2 1
- Estrogen receptor beta 1
- Stromelysin-1 1
- Interstitial collagenase 1
- Sialidase 1
- Probable global transcription activator SNF2L2 1
- Matrilysin 1
Publications 21 ▿
- Bioorg Med Chem Lett 21: 294-8 (2011) 6
- J Nat Prod 80: 965-974 (2017) 5
- Bioorg Med Chem Lett 23: 4985-9 (2013) 2
- J Med Chem 36: 3904-9 (1994) 2
- Bioorg Med Chem Lett 30: (2020) 1
- Bioorg Med Chem 20: 1251-8 (2012) 1
- Eur J Med Chem 167: 291-311 (2019) 1
- Eur J Med Chem 86: 724-39 (2014) 1
- Bioorg Med Chem Lett 26: 4599-4605 (2016) 1
- Bioorg Med Chem Lett 27: 3602-3606 (2017) 1
- J Enzyme Inhib Med Chem 26: 643-8 (2011) 1
- Bioorg Med Chem Lett 27: 3123-3126 (2017) 1
- Bioorg Med Chem 26: 1653-1664 (2018) 1
- Eur J Med Chem 66: 22-31 (2013) 1
- J Med Chem 41: 3948-60 (1998) 1
- PubChem Bioassay (2010) 1
- J Nat Prod 69: 1572-6 (2006) 1
- Bioorg Med Chem Lett 19: 5155-7 (2009) 1
- J Med Chem 45: 841-52 (2002) 1
- Bioorg Med Chem 28: (2020) 1
- PubChem Bioassay (2013) 1
Institutions 18 ▿
- [Chosun University] 6
- [University of Basel] 5
- [North-West University] 3
- [Soochow University, Sun Yat-sen University, Tokushima Bunri University] 2
- [Soochow University, Sun Yat-sen University, Tokushima Bunri University] 2
- [Soochow University, Sun Yat-sen University, Tokushima Bunri University] 2
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
- [Ewha Womans University, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Instituto de Qu£mica M£dica (IQM-CSIC), Universit£ di Roma"La Sapienza", Institute, University of Tennessee Health Science Center, King's College London, Guangxi Medical University, Institute of Agricultural and Food Biotechnology, The Scripps Research Institute Molecular Screening Center, Broad Institute, Korea Research Institute of Bioscience and Biotechnology] 1
Affinity: 8 to 3.5E+5 nM▿
- Ki 1
- IC50 38
- EC50 3
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1