BDBM22574 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(2R)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide::CHEMBL432260::alpha-substituted indomethacin ethanolamide, 14
SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CCSC)c2c1
InChI Key: InChIKey=PMLQJXADXWPWHU-GOSISDBHSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22574 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10E+4 | 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22574 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 250 | 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)) | BDBM22574 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.10E+4 | 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22574 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | 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 | 250 | 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 |