BDBM50277976 (S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropylphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid::CHEMBL485188
SMILES: CC(C)c1ccc(cc1)-c1nc(CCOc2ccc(C[C@H](OCC3CC3)C(O)=O)c3sccc23)c(C)o1
InChI Key: InChIKey=QATKKZLWBQDTPI-MHZLTWQESA-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 alpha (Homo sapiens (Human)) | BDBM50277976 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 37 | 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 gamma (Homo sapiens (Human)) | BDBM50277976 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...) | 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 | 10 | 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 (Homo sapiens (Human)) | BDBM50277976 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...) | 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 | 16 | 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 gamma (Homo sapiens (Human)) | BDBM50277976 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...) | 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 | 5 | 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 |