BDBM50313225 4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochromene-3-carboxylic acid{2-[2-(3,4-dichloro-phenyl)-ethyl]-phenyl}-amide::CHEMBL1087254
SMILES: Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl
InChI Key: InChIKey=YOMUYVHRWCRFAQ-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 (Homo sapiens (Human)) | BDBM50313225 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.40E+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 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)) | BDBM50313225 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >9.00E+4 | 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 E synthase (Homo sapiens (Human)) | BDBM50313225 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.68E+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 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 |