BDBM50110485 5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-pyrazole-1-sulfonic acid amide::CHEMBL349370
SMILES: COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
InChI Key: InChIKey=WYRUXQCDQBMXFY-UHFFFAOYSA-N
Data: 3 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 E synthase/G/H synthase 2 (Homo sapiens (Human)) | BDBM50110485 (5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera Curated by ChEMBL | Assay Description The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2 | Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50110485 (5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera Curated by ChEMBL | Assay Description Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in... | Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50110485 (5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera Curated by ChEMBL | Assay Description The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 1 | Bioorg Med Chem Lett 12: 779-82 (2002) BindingDB Entry DOI: 10.7270/Q20864MC | |||||||||||
More data for this Ligand-Target Pair |