Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50028641   

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 (Homo sapiens (Human))	BDBM50259596 ((+/-)-cis-2,3-Dihydro-3,6-dihydroxy-5,7-dimethoxy-...) Show SMILES COc1ccc(cc1OC)[C@@H]1Oc2cc(OC)c(O)c(OC)c2C(=O)[C@@H]1O |r| Show InChI InChI=1S/C19H20O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)16(21)14-12(27-18)8-13(25-3)15(20)19(14)26-4/h5-8,17-18,20,22H,1-4H3/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacy School of Wenzhou Medical College Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry				Bioorg Med Chem 17: 3414-25 (2009) Article DOI: 10.1016/j.bmc.2009.03.032 BindingDB Entry DOI: 10.7270/Q25D8RR9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacy School of Wenzhou Medical College Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry				Bioorg Med Chem 17: 3414-25 (2009) Article DOI: 10.1016/j.bmc.2009.03.032 BindingDB Entry DOI: 10.7270/Q25D8RR9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50258903 (+/-)-trans-2,3-Dihydro-3-hydroxy-5,6,7-trimethoxy-...) Show SMILES COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1OC)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H18O8/c1-23-12-7-11-13(18(25-3)17(12)24-2)14(21)15(22)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,15-16,19-20,22H,1-3H3/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacy School of Wenzhou Medical College Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry				Bioorg Med Chem 17: 3414-25 (2009) Article DOI: 10.1016/j.bmc.2009.03.032 BindingDB Entry DOI: 10.7270/Q25D8RR9
					More data for this Ligand-Target Pair