Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50167268'   

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))	BDBM50167268 (CHEMBL3799462) Show SMILES [H]C1(OC2C(O)COC([H])(OC3C(O)C(O)COC3([H])OC3C(O)COC([H])(OC4CCC5(C)C([H])(CCC6(C)C5([H])CC=C5C7([H])CC(=C)CCC7(CCC65C)C(=O)OC5OC(COC6OC(CO)C(OC7([H])OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3O)C2O)OCC(O)C(O)C1O |t:45| Show InChI InChI=1S/C67H106O33/c1-25-10-15-67(62(86)100-60-47(82)43(78)41(76)34(94-60)24-91-55-48(83)44(79)53(33(19-68)93-55)98-59-46(81)42(77)38(73)26(2)92-59)17-16-65(6)27(28(67)18-25)8-9-36-64(5)13-12-37(63(3,4)35(64)11-14-66(36,65)7)95-57-49(84)52(32(72)22-88-57)97-61-54(40(75)30(70)21-90-61)99-58-50(85)51(31(71)23-89-58)96-56-45(80)39(74)29(69)20-87-56/h8,26,28-61,68-85H,1,9-24H2,2-7H3/t26-,28-,29?,30-,31+,32-,33+,34+,35-,36+,37-,38-,39?,40-,41+,42+,43-,44+,45+,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,64-,65+,66+,67-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric ...				Bioorg Med Chem Lett 26: 2874-2879 (2016) Article DOI: 10.1016/j.bmcl.2016.04.048 BindingDB Entry DOI: 10.7270/Q2K64KZ2
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