Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50125624'   

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 (Homo sapiens (Human))	BDBM50125624 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C18H15ClO5S/c1-18(21)16(12-5-9-14(10-6-12)25(2,22)23)15(17(20)24-18)11-3-7-13(19)8-4-11/h3-10,21H,1-2H3	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells.				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50125624 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C18H15ClO5S/c1-18(21)16(12-5-9-14(10-6-12)25(2,22)23)15(17(20)24-18)11-3-7-13(19)8-4-11/h3-10,21H,1-2H3	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	110	n/a	n/a	n/a	n/a	n/a	n/a
The M.S University of Baroda Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) expressed in CHO cells				Eur J Med Chem 162: 1-17 (2019) Article DOI: 10.1016/j.ejmech.2018.10.054 BindingDB Entry DOI: 10.7270/Q2FX7DSW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50125624 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C18H15ClO5S/c1-18(21)16(12-5-9-14(10-6-12)25(2,22)23)15(17(20)24-18)11-3-7-13(19)8-4-11/h3-10,21H,1-2H3	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as reduction in PGE2 formation preincubated for 15 mins followed by addition of LPS and measured aft...				Eur J Med Chem 171: 66-92 (2019) Article DOI: 10.1016/j.ejmech.2019.03.021 BindingDB Entry DOI: 10.7270/Q2X92FQN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50125624 (3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C18H15ClO5S/c1-18(21)16(12-5-9-14(10-6-12)25(2,22)23)15(17(20)24-18)11-3-7-13(19)8-4-11/h3-10,21H,1-2H3	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 1 in the sensitive U937 microsome assay				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair