Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50038974   

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 (Rattus norvegicus)	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	2.12E+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 rat liver xanthine oxidase after 2 hrs by spectrophotometry				J Med Chem 52: 7732-52 (2009) Article DOI: 10.1021/jm900735p BindingDB Entry DOI: 10.7270/Q2CF9R2X
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50378419 (CHEMBL570882) Show SMILES CCOC(=O)COc1cc(O)c2c(c1)oc(-c1ccc3OC(CO)C(Oc3c1)c1ccc(OCC(=O)OCC)c(OC)c1)c(O)c2=O Show InChI InChI=1S/C33H32O14/c1-4-41-27(36)15-43-19-12-20(35)29-25(13-19)47-33(31(39)30(29)38)18-7-9-22-24(11-18)46-32(26(14-34)45-22)17-6-8-21(23(10-17)40-3)44-16-28(37)42-5-2/h6-13,26,32,34-35,39H,4-5,14-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+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 rat liver xanthine oxidase after 2 hrs by spectrophotometry				J Med Chem 52: 7732-52 (2009) Article DOI: 10.1021/jm900735p BindingDB Entry DOI: 10.7270/Q2CF9R2X
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50084979 (3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)...) Show SMILES COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O Show InChI InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-28,30-31H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.03E+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 rat liver xanthine oxidase after 2 hrs by spectrophotometry				J Med Chem 52: 7732-52 (2009) Article DOI: 10.1021/jm900735p BindingDB Entry DOI: 10.7270/Q2CF9R2X
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM60989 ((3S)-2-[(2S,3S)-2-(hydroxymethyl)-3-(3-methoxy-4-o...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.03E+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 rat liver xanthine oxidase after 2 hrs by spectrophotometry				J Med Chem 52: 7732-52 (2009) Article DOI: 10.1021/jm900735p BindingDB Entry DOI: 10.7270/Q2CF9R2X
					More data for this Ligand-Target Pair