BDBM50224109 1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole::4-[5-(4-methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]-1-methylsulfonyl-benzene::CHEMBL241970::Celecoxib
SMILES: Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
InChI Key: InChIKey=VXPBYVGXCVDFLZ-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 G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50224109 (1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University Curated by ChEMBL | Assay Description Inhibition of purified ovine COX-1 by enzyme immunoassay | Bioorg Med Chem 22: 2529-34 (2014) Article DOI: 10.1016/j.bmc.2014.02.032 BindingDB Entry DOI: 10.7270/Q2K35W5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50224109 (1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal Curated by ChEMBL | Assay Description Inhibition of recombinant CYP2C9 by fluorescence inhibition assay | J Med Chem 50: 5382-91 (2007) Article DOI: 10.1021/jm070745g BindingDB Entry DOI: 10.7270/Q2TB16MF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50224109 (1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Keio University Curated by ChEMBL | Assay Description Inhibition of human recombinant COX-2 by enzyme immunoassay | Bioorg Med Chem 22: 2529-34 (2014) Article DOI: 10.1016/j.bmc.2014.02.032 BindingDB Entry DOI: 10.7270/Q2K35W5T | |||||||||||
More data for this Ligand-Target Pair |