null

SMILES: CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=UEMFMDKLHCIEME-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50057528   

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))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057528 (4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.				Bioorg Med Chem Lett 12: 267-70 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
					More data for this Ligand-Target Pair