BDBM50277820 2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid::CHEMBL483341
SMILES: CC(C)COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
InChI Key: InChIKey=KQXDPYDFFKAXBV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50277820 (2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G... | Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50277820 (2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...) | 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 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Agonist activity at human PPARgamma expressed in BHK21 cells assessed as SEAP activity by luciferase reporter transactivation assay | Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50277820 (2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...) | 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 | 48 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Agonist activity at human PPARalpha by luciferase reporter transactivation assay | Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50277820 (2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G... | Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3 | |||||||||||
More data for this Ligand-Target Pair |