BindingDB

null

SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1

InChI Key InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N

PDB links: 3 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20607

Orf1a protein(MERS-CoV)
University of Bonn

BDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)copy SMILEScopy InChI

EC50: 1.01E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair

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UniProtKB/TrEMBL
B.MOAD GoogleScholar

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KEGG PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JS9ST6PubMed

Replicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University of Bonn

BDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)copy SMILEScopy InChI

EC50: 9.29E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JS9ST6PubMed

Targets 37 ▿
- Estrogen receptor 35
- Estrogen receptor beta 28
- ATP-dependent translocase ABCB1 6
- Bile salt export pump 5
- Progesterone receptor 2
- Cytochrome P450 3A4 2
- 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase 1
- Sigma non-opioid intracellular receptor 1 1
- 7-dehydrocholesterol reductase 1
- Phospholipase D1 1
- Potassium voltage-gated channel subfamily H member 2 1
- Cytochrome P450 1A2 1
- 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase 1
- Orf1a protein 1
- Emopamil-binding protein-like 1
- Cytochrome P450 2C9 1
- Streptokinase A 1
- Transcriptional activator protein LuxR 1
- Estrogen-related receptor gamma 1
- Cytochrome P450 2C8 1
- C-8 sterol isomerase ERG2 1
- Prostaglandin G/H synthase 2 1
- Prostaglandin G/H synthase 1 1
- Lysosomal acid glucosylceramidase 1
- Replicase polyprotein 1ab 1
- ATP-binding cassette sub-family C member 3 1
- Phospholipase 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Androgen receptor 1
- Steroid hormone receptor ERR1 1
- Cytochrome P450 2C19 1
- Cytochrome P450 2D6 1
- 5-hydroxytryptamine receptor 6 1
- Ubiquitin-conjugating enzyme E2 N 1
- Cytochrome P450 2B6 1
- Arachidonate 15-lipoxygenase 1
- ...
Publications 50 ▿
- Drug Metab Dispos 40: 943-51 (2012) 6
- J Med Chem 61: 514-534 (2018) 5
- Bioorg Med Chem 25: 5216-5237 (2017) 5
- Bioorg Med Chem 28: (2020) 4
- Toxicol Sci 136: 216-41 (2013) 4
- J Med Chem 57: 9370-82 (2014) 4
- J Med Chem 58: 8128-40 (2015) 4
- Biochem Biophys Res Commun 289: 580-5 (2001) 3
- J Med Chem 48: 4754-64 (2005) 3
- J Med Chem 62: 6525-6539 (2019) 2
- Proc Natl Acad Sci U S A 96: 7563-8 (1999) 2
- Eur J Med Chem 143: 515-531 (2018) 2
- J Med Chem 48: 364-79 (2005) 2
- Eur J Med Chem 112: 171-9 (2016) 2
- Curr Drug Metab 6: 413-54 (2005) 2
- J Med Chem 53: 5361-5 (2010) 2
- J Med Chem 40: 2117-22 (1997) 2
- Med Res Rev (2020) 2
- Bioorg Med Chem Lett 23: 3329-33 (2013) 2
- Bioorg Med Chem 16: 9554-73 (2008) 2
- Eur J Med Chem 54: 188-96 (2012) 2
- Pharm Res 20: 537-44 (2003) 2
- J Med Chem 46: 2945-57 (2003) 2
- Eur J Med Chem 161: 445-455 (2019) 1
- Eur J Med Chem 46: 618-30 (2011) 1
- Bioorg Med Chem Lett 30: (2020) 1
- Bioorg Med Chem 21: 215-22 (2012) 1
- ACS Chem Biol 10: 421-32 (2015) 1
- Eur J Med Chem 140: 252-273 (2017) 1
- Bioorg Med Chem Lett 20: 4355-8 (2010) 1
- Bioorg Med Chem 24: 5495-5504 (2016) 1
- Eur J Med Chem 166: 281-290 (2019) 1
- J Med Chem 32: 192-7 (1989) 1
- J Med Chem 45: 5671-86 (2002) 1
- J Med Chem 47: 1193-206 (2004) 1
- J Med Chem 47: 5612-5 (2004) 1
- J Med Chem 56: 5782-96 (2013) 1
- J Med Chem 46: 1484-91 (2003) 1
- Eur J Med Chem 118: 328-39 (2016) 1
- J Med Chem 40: 1104-11 (1997) 1
- PubChem Bioassay (2009) 1
- J Med Chem 60: 2790-2818 (2017) 1
- J Med Chem 56: 2779-90 (2013) 1
- Biochemistry 55: 3329-40 (2016) 1
- J Med Chem 45: 5358-64 (2002) 1
- ACS Med Chem Lett 3: 207-210 (2012) 1
- J Med Chem 48: 5666-74 (2005) 1
- PubChem Bioassay (2011) 1
- J Med Chem 42: 3126-33 (1999) 1
- Bioorg Med Chem 18: 5593-601 (2010) 1
- ...
Institutions 39 ▿
- [Trinity College] 15
- [Pfizer Inc., East China University of Science and Technology] 6
- [Pfizer Inc., East China University of Science and Technology] 6
- [Schering-Plough Research Institute, Kyushu University] 5
- [Schering-Plough Research Institute, Kyushu University] 5
- [Novartis Pharmaceuticals, AstraZeneca, Amgen Inc] 4
- [Novartis Pharmaceuticals, AstraZeneca, Amgen Inc] 4
- [Novartis Pharmaceuticals, AstraZeneca, Amgen Inc] 4
- [China Pharmaceutical University, University of Innsbruck] 3
- [China Pharmaceutical University, University of Innsbruck] 3
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [American University of Ras Al Khaimah, F. Hoffmann-La Roche Ltd., University of Bonn, German University in Cairo, Helmholtz-Zentrum Dresden-Rossendorf, Free University of Berlin, Le Centre Hospitalier Universitaire de Qu£bec, University of Georgia, St. Bartholomew's and the Royal London School of Medicine and Dentistry] 2
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- [The British University in Egypt, University of Michigan, University of Basel, University of California, Santa Cruz, Universit£ de Versailles/St. Quentin-en-Yvelines, Trinity College Dublin, Novartis Institutes for BioMedical Research, Bulgarian Academy of Sciences, Broad Institute, INSA, Burnham Center for Chemical Genomics, TBA, University of Kansas Medical Center, Temple University School of Pharmacy, Key Laboratory of Radiopharmaceuticals (Beijing Normal University), TCG Lifesciences Ltd., Instituto Politécnico Nacional 2508, Vanderbilt University, University of Colorado, Georgia Institute of Technology] 1
- ...
Affinity: 0.51 to 1.5E+5 nM▿
- Ki 15
- IC50 82
- Kd 1
- EC50 11
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1