BDBM50297696 4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine::CHEMBL558230
SMILES: Cn1cccc1Cc1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1
InChI Key: InChIKey=MNOONXYZUAAMRR-UHFFFAOYSA-N
Data: 2 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 2 (Homo sapiens (Human)) | BDBM50297696 (4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ... | Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase 1 (Homo sapiens (Human)) | BDBM50297696 (4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ... | Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC | |||||||||||
More data for this Ligand-Target Pair |