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SMILES: Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=NBIGPKBERNTXMC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50150217   

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 1 (Homo sapiens (Human))	BDBM50150217 (2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...) Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood				J Med Chem 47: 3874-86 (2004) Article DOI: 10.1021/jm049882t BindingDB Entry DOI: 10.7270/Q2HM57WX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50150217 (2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...) Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3	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	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Devi Ahilya Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood				Bioorg Med Chem Lett 15: 313-20 (2004) Article DOI: 10.1016/j.bmcl.2004.10.077 BindingDB Entry DOI: 10.7270/Q2NZ88VQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50150217 (2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...) Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3	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	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood				J Med Chem 47: 3874-86 (2004) Article DOI: 10.1021/jm049882t BindingDB Entry DOI: 10.7270/Q2HM57WX
					More data for this Ligand-Target Pair