BindingDB BDBM50103521 Actos::CHEBI:8228::Duetact::Pioglitazone::US20240091210, Compound Pioglitazone

BDBM50103521 Actos::CHEBI:8228::Duetact::Pioglitazone::US20240091210, Compound Pioglitazone

SMILES CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3

InChI Key InChIKey=HYAFETHFCAUJAY-UHFFFAOYSA-N

Data 11 KI 21 IC50 2 Kd 29 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50103521

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

EC50: 250nMAssay Description:Transactivation of full length human PPARgamma2 expressed in HEK293T cells co-expressing PPRE after 18 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

EC50: 260nMAssay Description:Activation of human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia coli BL21(DE3) assessed as increase in FITC-TR...More data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

EC50: 350nMAssay Description:Transactivation of chimeric Gal4 yeast DBD fused-PPARgamma LBD (unknown origin) expressed in HEK293T cells co-expressing PPRE after 18 hrs by lucifer...More data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

Ki: 420nMAssay Description:Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia c...More data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

Kd: 871nMAssay Description:Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titr...More data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

IC50: 1.70E+3nMAssay Description:Displacement of FITC-NCoR1 peptide from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia coli BL21(DE3) after...More data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Peroxisome proliferator-activated receptor gamma(Human)
The Scripps Research Institute

Curated by ChEMBL

BDBM50103521(CHEBI:8228 | Actos | Duetact | Pioglitazone | US20...)

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
2/26/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Filter my 66 hits

Targets 10▿
- Peroxisome proliferator-activated receptor gamma 48
- Bile salt export pump 7
- CDGSH iron-sulfur domain-containing protein 1 3
- Peroxisome proliferator-activated receptor alpha 2
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Mitochondrial pyruvate carrier 1/2 1
- Amine oxidase [flavin-containing] B 1
- Tyrosine-protein phosphatase non-receptor type 1 1
- CDGSH iron-sulfur domain-containing protein 2 1
Publications 38▿
- J Med Chem 62: 2008-2023 (2019) 12
- J Nat Prod 86: 138-148 (2023) 5
- Toxicol Sci 136: 216-41 (2013) 3
- J Med Chem 63: 5031-5073 (2020) 3
- J Nat Prod 85: 2804-2816 (2022) 2
- Eur J Med Chem 124: 49-62 (2016) 2
- Bioorg Med Chem Lett 26: 5350-5353 (2016) 2
- Drug Metab Dispos 40: 130-8 (2011) 2
- Bioorg Med Chem Lett 9: 3329-34 (2000) 2
- Bioorg Med Chem 26: 5870-5884 (2018) 2
- Bioorg Med Chem Lett 27: 2776-2780 (2017) 2
- ACS Med Chem Lett 14: 425-431 (2023) 2
- Bioorg Med Chem Lett 76: (2022) 1
- J Med Chem 63: 16012-16027 (2020) 1
- J Med Chem 63: 11397-11419 (2020) 1
- Eur J Med Chem 152: 436-488 (2018) 1
- Bioorg Med Chem 27: 2948-2958 (2019) 1
- Eur J Med Chem 195: (2020) 1
- Eur J Med Chem 261: 1
- Bioorg Med Chem Lett 25: 2907-12 (2015) 1
- J Med Chem 66: 4961-4978 (2023) 1
- J Nat Prod 82: 259-264 (2019) 1
- Eur J Med Chem 258: 1
- US Patent US20240091210 (2024) 1
- J Med Chem 59: 61-81 (2016) 1
- Eur J Med Chem 126: 590-603 (2017) 1
- Hepatology 60: 1015-22 (2014) 1
- Eur J Med Chem 187: (2020) 1
- Eur J Med Chem 185: (2020) 1
- Eur J Med Chem 124: 138-152 (2016) 1
- Bioorg Med Chem Lett 29: 901-904 (2019) 1
- Eur J Med Chem 269: 1
- Bioorg Med Chem 26: 4153-4167 (2018) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- Bioorg Med Chem Lett 20: 819-23 (2010) 1
- J Med Chem 61: 10067-10083 (2018) 1
- Toxicol Sci 118: 485-500 (2010) 1
- J Nat Prod 81: 2419-2428 (2018) 1
Institutions 25▿
- Seoul National University 14
- The Scripps Research Institute 12
- University of Innsbruck 5
- Amgen 4
- Astrazeneca 3
- Terns Pharmaceuticals 3
- West Virginia University 3
- Sptanis Pharmachem Consulting 2
- The University of Tokyo 2
- Glaxo Wellcome Research and Development 2
- Comsats University Islamabad 1
- ISF College of Pharmacy 1
- Pfizer 1
- Goethe-University Frankfurt 1
- Minoryx Therapeutics 1
- Fuji Research Park, R&D Division 1
- Vienna University of Technology 1
- Norman Drug Discovery Training and Consulting 1
- University of Kwazulu-Natal 1
- Genentech 1
- Fudan University 1
- Northeastern Ohio Universities 1
- Southwest University 1
- Universit£T Innsbruck 1
- National Research Centre 1
Affinity: 62 to 2.2E+5 nM▿
- Ki 11
- IC50 21
- Kd 2
- EC50 32
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1