Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50009844   

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 (Homo sapiens (Human))	BDBM50088570 ((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...) Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50088570 ((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...) Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50088569 (2-(5-Benzoyl-2-methoxy-phenyl)-propionic acid | CH...) Show SMILES COc1ccc(cc1C(C)C(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-11(17(19)20)14-10-13(8-9-15(14)21-2)16(18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50088571 (2-(5-Benzoyl-2-hydroxy-phenyl)-propionic acid | CH...) Show SMILES CC(C(O)=O)c1cc(ccc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O4/c1-10(16(19)20)13-9-12(7-8-14(13)17)15(18)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50088571 (2-(5-Benzoyl-2-hydroxy-phenyl)-propionic acid | CH...) Show SMILES CC(C(O)=O)c1cc(ccc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O4/c1-10(16(19)20)13-9-12(7-8-14(13)17)15(18)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,19,20)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50088569 (2-(5-Benzoyl-2-methoxy-phenyl)-propionic acid | CH...) Show SMILES COc1ccc(cc1C(C)C(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-11(17(19)20)14-10-13(8-9-15(14)21-2)16(18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human				J Med Chem 43: 2280-4 (2000) BindingDB Entry DOI: 10.7270/Q2PG1QZ8
					More data for this Ligand-Target Pair