BDBM50297886 2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenylthio)hexanoic acid::CHEMBL564017
SMILES: CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O
InChI Key: InChIKey=JZYMMZPAPFPFPX-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt Curated by ChEMBL | Assay Description Agonist activity at human PPARalpha expressed in african green monkey COS7 cells by Gal4 transactivation assay | Bioorg Med Chem Lett 19: 4421-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.057 BindingDB Entry DOI: 10.7270/Q2G160W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt Curated by ChEMBL | Assay Description Agonist activity at human PPARgamma expressed in african green monkey COS7 cells by Gal4 transactivation assay | Bioorg Med Chem Lett 19: 4421-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.057 BindingDB Entry DOI: 10.7270/Q2G160W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University Tuebingen Curated by ChEMBL | Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins | Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University Tuebingen Curated by ChEMBL | Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc... | Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University Tuebingen Curated by ChEMBL | Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a... | Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62 | |||||||||||
More data for this Ligand-Target Pair |