Found 17 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50085042' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay |
J Med Chem 52: 4443-53 (2009)
Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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Patents
Similars
| | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro activation of human peroxisome proliferator activated receptor alpha |
Bioorg Med Chem Lett 13: 257-60 (2002)
BindingDB Entry DOI: 10.7270/Q2FF3RQS |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Rattus norvegicus) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description In vitro effective concentration for agonist activity on rat Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected C... |
J Med Chem 46: 3581-99 (2003)
Article DOI: 10.1021/jm0205144 BindingDB Entry DOI: 10.7270/Q2R78DMX |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected... |
J Med Chem 46: 3581-99 (2003)
Article DOI: 10.1021/jm0205144 BindingDB Entry DOI: 10.7270/Q2R78DMX |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description In vitro effective concentration for agonist activity on dog Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected C... |
J Med Chem 46: 3581-99 (2003)
Article DOI: 10.1021/jm0205144 BindingDB Entry DOI: 10.7270/Q2R78DMX |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay |
J Med Chem 47: 4118-27 (2004)
Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha receptor expressed in african green monkey COS1 cells cotransfected with fused yeast Gal4-DBD by transactivation ... |
J Med Chem 52: 4443-53 (2009)
Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.35E+4 | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha assessed as luciferase activity by transactivation assay |
J Med Chem 52: 6835-50 (2009)
Article DOI: 10.1021/jm900964r BindingDB Entry DOI: 10.7270/Q2JH3M7G |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Rattus norvegicus) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Johnson& Johnson
Curated by ChEMBL
| Assay Description Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction |
Bioorg Med Chem Lett 17: 6773-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.041 BindingDB Entry DOI: 10.7270/Q27945H6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.35E+4 | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured... |
Bioorg Med Chem 21: 766-78 (2013)
Article DOI: 10.1016/j.bmc.2012.11.040 BindingDB Entry DOI: 10.7270/Q2NC62JK |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description Agonist activity at PPARalpha |
J Med Chem 51: 6318-33 (2008)
Article DOI: 10.1021/jm8003416 BindingDB Entry DOI: 10.7270/Q2SQ919V |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Agonist activity at GAL4-fused PPARalpha LBD (unknown origin) expressed in HEK293 cells assessed as receptor transactivation after 18 hrs by dual luc... |
Eur J Med Chem 138: 212-220 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.033 BindingDB Entry DOI: 10.7270/Q279478W |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay |
Bioorg Med Chem Lett 29: 2124-2128 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.062 BindingDB Entry DOI: 10.7270/Q23N26T3 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Terns Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at PPARalpha (unknown origin) |
J Med Chem 63: 5031-5073 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PubMed
| n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for murine PPAR alpha receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for Human PPAR alpha receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair | |