BDBM50244557 (R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)methyl)phenoxy)propanoic acid::CHEMBL452299
SMILES: COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@H](C)C(O)=O)c2)c2ncccc12
InChI Key: InChIKey=OMBSMQLLFJMMRZ-QGZVFWFLSA-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)) | BDBM50244557 ((R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...) | 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 | 2.93E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human PPARgamma receptor expressed in african green monkey COS cells after 48 hrs by GAL4 transactivation assay | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50244557 ((R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...) | 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 | 726 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21 | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human)) | BDBM50244557 ((R)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-1H-pyrrol...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to PPARdelta | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair |