BindingDB

null

SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1

InChI Key InChIKey=IYYGBZJXHJSLEV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049240

Peroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL

BDBM50049240((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)copy SMILEScopy InChI

IC50: 1.00E+4nMAssay Description:Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligandMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

CHEMBL PC cid PC sid Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2P55MWJPubMed

Peroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL

BDBM50049240((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)copy SMILEScopy InChI

IC50: 7.40E+3nMAssay Description:Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligandMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL PC cid PC sid Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2P55MWJPubMed

Targets 7 ▿
- Peroxisome proliferator-activated receptor gamma 29
- Amine oxidase [flavin-containing] B 5
- Peroxisome proliferator-activated receptor alpha 3
- Enoyl-[acyl-carrier-protein] reductase [NADH] 1
- Tyrosine-protein phosphatase non-receptor type 1 1
- Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha 1
- Free fatty acid receptor 1 1
Publications 33 ▿
- ACS Med Chem Lett 3: 39-42 (2012) 2
- J Med Chem 41: 5020-36 (1999) 2
- J Med Chem 46: 1306-17 (2003) 2
- J Med Chem 46: 4883-94 (2003) 2
- Bioorg Med Chem Lett 11: 3111-3 (2001) 2
- J Med Chem 43: 527-50 (2000) 2
- J Med Chem 45: 789-804 (2002) 2
- Bioorg Med Chem 23: 770-8 (2015) 2
- Bioorg Med Chem 19: 5372-82 (2011) 1
- J Med Chem 54: 4219-33 (2011) 1
- Bioorg Med Chem Lett 21: 1978-82 (2011) 1
- Bioorg Med Chem 18: 5885-95 (2010) 1
- Bioorg Med Chem Lett 18: 3192-5 (2008) 1
- Bioorg Med Chem Lett 19: 6161-5 (2009) 1
- Bioorg Med Chem Lett 18: 4959-62 (2008) 1
- J Med Chem 55: 10771-5 (2012) 1
- Bioorg Med Chem Lett 10: 373-5 (2000) 1
- Bioorg Med Chem 18: 8315-23 (2010) 1
- Bioorg Med Chem Lett 21: 220-4 (2010) 1
- Bioorg Med Chem Lett 23: 767-72 (2013) 1
- J Nat Prod 77: 2513-21 (2014) 1
- Bioorg Med Chem Lett 17: 4613-8 (2007) 1
- Bioorg Med Chem Lett 20: 5295-8 (2010) 1
- Bioorg Med Chem Lett 22: 7662-6 (2012) 1
- Bioorg Med Chem 20: 2141-51 (2012) 1
- Bioorg Med Chem Lett 24: 5330-6 (2014) 1
- J Med Chem 56: 5275-87 (2014) 1
- Bioorg Med Chem Lett 20: 2469-73 (2010) 1
- Bioorg Med Chem Lett 20: 2095-8 (2010) 1
- J Med Chem 39: 665-8 (1996) 1
- J Med Chem 45: 1518-34 (2002) 1
- J Med Chem 49: 4072-84 (2006) 1
- Bioorg Med Chem Lett 22: 2954-8 (2012) 1
Institutions 25 ▿
- [Novo Nordisk A/S] 6
- [National Institute of Pharmaceutical Education and Research, Glaxo Wellcome Research and Development] 3
- [National Institute of Pharmaceutical Education and Research, Glaxo Wellcome Research and Development] 3
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [TBA, GlaxoSmithKline, Pfizer Inc., Glaxo Wellcome Research & Development, Goethe-University Frankfurt, Dart NeuroScience, LLC, Dainippon Sumitomo Pharma Co, Ltd] 2
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
- [Sookmyung Women's University, Freie Universität Berlin, Universit£ degli Studi G. d'Annunzio, Inha University, Universit£ degli Studi di Bari 'Aldo Moro', Karl-Franzens-University Graz, National Kaohsiung Normal University, University of Mississippi, ZAFES/LiFF/OSF Goethe-University Frankfurt, Naval Research Laboratories, Suez Canal University, Northeastern Ohio Universities, Daiichi Sankyo Co., Ltd, Sankyo Co., Ltd., Takeda Chemical Industries, Ltd.] 1
Affinity: 88 to 8.1E+5 nM▿
- Ki 6
- IC50 10
- EC50 25
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 0