Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50043913   

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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50448381 (CHEMBL2338661) Show SMILES Oc1cccc2C(=O)c3cc(C=O)cc(O)c3C(=O)c12 Show InChI InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50448380 (CHEMBL3121613) Show SMILES Oc1cccc2C(=O)c3cc(\C=N\c4ccccc4)cc(O)c3C(=O)c12 Show InChI InChI=1S/C21H13NO4/c23-16-8-4-7-14-18(16)21(26)19-15(20(14)25)9-12(10-17(19)24)11-22-13-5-2-1-3-6-13/h1-11,23-24H/b22-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50448379 (CHEMBL2338666) Show SMILES COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12 |r| Show InChI InChI=1S/C31H31NO13/c1-14(33)41-13-23-29(42-15(2)34)30(43-16(3)35)26(31(45-23)44-17(4)36)32-12-18-10-20-25(22(11-18)40-6)28(38)24-19(27(20)37)8-7-9-21(24)39-5/h7-12,23,26,29-31H,13H2,1-6H3/b32-12+/t23-,26-,29-,30+,31?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM35440 (ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...) Show SMILES O=c1[nH]cnc2n[nH]cc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50429846 (CHEMBL2338671) Show SMILES C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C18H17NO4/c1-19(2,3)9-10-7-12-16(14(21)8-10)18(23)15-11(17(12)22)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H-,20,21,23)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair