Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50057518'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31.6	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))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	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 2 (Homo sapiens (Human))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32.4	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 (Homo sapiens (Human))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su...				J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 BindingDB Entry DOI: 10.7270/Q2F1936B
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su...				J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 BindingDB Entry DOI: 10.7270/Q2F1936B
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057518 (4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	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