Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50027904   

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 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Eur J Med Chem 44: 1830-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.039 BindingDB Entry DOI: 10.7270/Q27P8Z7F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Eur J Med Chem 44: 1830-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.039 BindingDB Entry DOI: 10.7270/Q27P8Z7F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Eur J Med Chem 44: 1830-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.039 BindingDB Entry DOI: 10.7270/Q27P8Z7F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50279625 (4-(4-Phenyl-3-methyl-2-oxo-3H-1,3-oxazol-5-yl)benz...) Show SMILES Cn1c(c(oc1=O)-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c1-18-14(11-5-3-2-4-6-11)15(22-16(18)19)12-7-9-13(10-8-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Eur J Med Chem 44: 1830-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.039 BindingDB Entry DOI: 10.7270/Q27P8Z7F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50279625 (4-(4-Phenyl-3-methyl-2-oxo-3H-1,3-oxazol-5-yl)benz...) Show SMILES Cn1c(c(oc1=O)-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c1-18-14(11-5-3-2-4-6-11)15(22-16(18)19)12-7-9-13(10-8-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Eur J Med Chem 44: 1830-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.039 BindingDB Entry DOI: 10.7270/Q27P8Z7F
					More data for this Ligand-Target Pair