null

SMILES: Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=GNJSDQWCVFRBLY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50373534   

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))	BDBM50373534 (CHEMBL270730) Show SMILES Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-25-9-3-4-13(25)11-22-16-10-15(18(19,20)21)23-17(24-16)12-5-7-14(8-6-12)28(2,26)27/h3-10H,11H2,1-2H3,(H,22,23,24)	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	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373534 (CHEMBL270730) Show SMILES Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-25-9-3-4-13(25)11-22-16-10-15(18(19,20)21)23-17(24-16)12-5-7-14(8-6-12)28(2,26)27/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373534 (CHEMBL270730) Show SMILES Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-25-9-3-4-13(25)11-22-16-10-15(18(19,20)21)23-17(24-16)12-5-7-14(8-6-12)28(2,26)27/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.47E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373534 (CHEMBL270730) Show SMILES Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-25-9-3-4-13(25)11-22-16-10-15(18(19,20)21)23-17(24-16)12-5-7-14(8-6-12)28(2,26)27/h3-10H,11H2,1-2H3,(H,22,23,24)	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	178	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair