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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50224109   

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...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3	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...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3	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...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3	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