BDBM50313205 4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid(3',4'-dichloro-biphenyl-4-yl)-amide::CHEMBL1087267
SMILES: OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=VGACSWBJQLLJFB-UHFFFAOYSA-N
Data: 11 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 (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human mPGES1 in LPS-stimulated human whole blood assessed as PGE2 level after 24 hrs by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human mPGES1 in IL-1beta-stimulated human RASF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human COX2 in IL-1-beta-stimulated human RASF cells assessed as PGF2alpha levels after 50 mins by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-University Curated by ChEMBL | Assay Description Inhibition of human recombinant mPGES-1 | J Med Chem 55: 3792-803 (2012) Article DOI: 10.1021/jm201687d BindingDB Entry DOI: 10.7270/Q2QZ2C03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS... | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin I2 synthase (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human prostacyclin synthase in IL-1-beta-stimulated human RASF cells assessed as PGF1alpha levels after 50 mins by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human thromboxane A synthase in IL-1-beta-stimulated human RASF cells assessed as TXB2 levels after 50 mins by ELISA | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50313205 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL | Assay Description Inhibition of human recombinant COX1 | Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V | |||||||||||
More data for this Ligand-Target Pair |