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SMILES: CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=IJUKBQSJNKIKII-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084346   

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))	BDBM50084346 (3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H...) Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17NO4S/c1-3-13-4-8-15(9-5-13)19-17(12-23-18(19)20)14-6-10-16(11-7-14)24(2,21)22/h4-12H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2				J Med Chem 43: 214-23 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KK0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50084346 (3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H...) Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17NO4S/c1-3-13-4-8-15(9-5-13)19-17(12-23-18(19)20)14-6-10-16(11-7-14)24(2,21)22/h4-12H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Binding affinity towards Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 13: 3753-7 (2003) BindingDB Entry DOI: 10.7270/Q2JM2BS0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50084346 (3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H...) Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17NO4S/c1-3-13-4-8-15(9-5-13)19-17(12-23-18(19)20)14-6-10-16(11-7-14)24(2,21)22/h4-12H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Binding affinity towards Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 3753-7 (2003) BindingDB Entry DOI: 10.7270/Q2JM2BS0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50084346 (3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H...) Show SMILES CCc1ccc(cc1)-n1c(coc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17NO4S/c1-3-13-4-8-15(9-5-13)19-17(12-23-18(19)20)14-6-10-16(11-7-14)24(2,21)22/h4-12H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1				J Med Chem 43: 214-23 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KK0
					More data for this Ligand-Target Pair