BDBM50138441 2-(hydroxymethyl)-4-(5-(4-(methylthio)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide::2-Hydroxymethyl-4-[5-(4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide::CHEMBL357002
SMILES: CSc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
InChI Key: InChIKey=RJTNBPZVAKKVNU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50138441 (2-(hydroxymethyl)-4-(5-(4-(methylthio)phenyl)-3-(t...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Discovery Research-Dr. Reddy's Laboratories Ltd Curated by ChEMBL | Assay Description Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus | Bioorg Med Chem Lett 14: 499-504 (2003) BindingDB Entry DOI: 10.7270/Q280522Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50138441 (2-(hydroxymethyl)-4-(5-(4-(methylthio)phenyl)-3-(t...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Discovery Research-Dr. Reddy's Laboratories Ltd Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles | Bioorg Med Chem Lett 14: 499-504 (2003) BindingDB Entry DOI: 10.7270/Q280522Q | |||||||||||
More data for this Ligand-Target Pair |