BDBM22569 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(2R)-1-hydroxypropan-2-yl]acetamide::CHEMBL24874::alpha-substituted indomethacin ethanolamide, 6
SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](C)CO)c2c1
InChI Key: InChIKey=VDUMTSIKQQNNNR-CYBMUJFWSA-N
Data: 21 IC50
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM22569![]() (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 | 3.30E+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 | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.40E+5 | 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 VRV, mutant murine 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)) | BDBM22569![]() (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 | 3.30E+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-2 (COX-2) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against I92L mutant murine 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22569![]() (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 | 170 | 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22569![]() (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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Curated by ChEMBL | Assay Description Inhibitory concentration against human Prostaglandin G/H synthase 2 (COX-2) | J Med Chem 48: 3613-20 (2005) Article DOI: 10.1021/jm0494164 BindingDB Entry DOI: 10.7270/Q2J102PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22569![]() (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 | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Curated by ChEMBL | Assay Description Inhibitory concentration against ovine Prostaglandin G/H synthase 1 (COX-1) | J Med Chem 48: 3613-20 (2005) Article DOI: 10.1021/jm0494164 BindingDB Entry DOI: 10.7270/Q2J102PQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.90E+5 | 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 VRV, mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.70E+5 | 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 VRV, mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against R120Q mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against V5231, mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.00E+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 of the compound against S119V mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against S530A mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Y115L mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against I92L mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against H122N mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Y115L mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against V891 mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Y115L/S119V mutant murine 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) (Mus musculus (Mouse)) | BDBM22569![]() (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.00E+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 of the compound against L503F mutant murine 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22569![]() (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 | 170 | 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 |