Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50000582   

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 (Ovis aries (Sheep))	BDBM50254170 (CHEMBL4095678) Show SMILES O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	660	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50254169 (CHEMBL4063827) Show SMILES Brc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 |r| Show InChI InChI=1S/C22H19BrN2O/c23-18-10-6-11-19(15-18)24-22(26)25-14-13-16-7-4-5-12-20(16)21(25)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50254170 (CHEMBL4095678) Show SMILES O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50254169 (CHEMBL4063827) Show SMILES Brc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 |r| Show InChI InChI=1S/C22H19BrN2O/c23-18-10-6-11-19(15-18)24-22(26)25-14-13-16-7-4-5-12-20(16)21(25)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com. Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 27: 3378-3381 (2017) Article DOI: 10.1016/j.bmcl.2017.06.002 BindingDB Entry DOI: 10.7270/Q2NK3HG0
					More data for this Ligand-Target Pair