BDBM50168785 3-(5-(2'-acetyl-2-fluorobiphenyl-4-yl)-1-(4-chlorobenzyl)-3-methyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-[5-(2'-Acetyl-2-fluoro-biphenyl-4-yl)-1-(4-chloro-benzyl)-3-methyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL368241
SMILES: CC(=O)c1ccccc1-c1ccc(cc1F)-c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C)c2c1
InChI Key: InChIKey=NSJDFUBAWYKQKM-UHFFFAOYSA-N
Data: 1 IC50
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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Prostaglandin E synthase 2 (Homo sapiens (Human)) | BDBM50168785 (3-(5-(2'-acetyl-2-fluorobiphenyl-4-yl)-1-(4-chloro...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1) | Bioorg Med Chem Lett 15: 3352-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.027 BindingDB Entry DOI: 10.7270/Q21R6Q1X | |||||||||||
More data for this Ligand-Target Pair |