BDBM22573 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(2S)-1-hydroxybutan-2-yl]acetamide::CHEMBL27784::alpha-substituted indomethacin ethanolamide, 9
SMILES: CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChI Key: InChIKey=GKJWXEORYGBJFS-KRWDZBQOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22573 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Michigan State University | Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t... | J Biol Chem 282: 28096-105 (2007) Article DOI: 10.1074/jbc.M701335200 BindingDB Entry DOI: 10.7270/Q2R49P2D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22573 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2 | Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22573 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration against prostaglandin G/H synthase 1 | Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22573 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Michigan State University | Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t... | J Biol Chem 282: 28096-105 (2007) Article DOI: 10.1074/jbc.M701335200 BindingDB Entry DOI: 10.7270/Q2R49P2D | |||||||||||
More data for this Ligand-Target Pair |