BDBM50173351 1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3-trifluoromethyl-phenoxy)-1H-indole-2-carboxylic acid::CHEMBL198269
SMILES: CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12
InChI Key: InChIKey=CKICIGYCPKEFTC-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)) | BDBM50173351![]() (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) | 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 | 126 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay | Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50173351![]() (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay | Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50173351![]() (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay | Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56 | |||||||||||
More data for this Ligand-Target Pair |