Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50025002   

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))	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	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				J Nat Prod 69: 1089-91 (2006) Article DOI: 10.1021/np060038a BindingDB Entry DOI: 10.7270/Q2RV0NG6
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50269378 (CHEMBL447311 | apigenin-4'-O-(2''-O-p-coumaroyl)-b...) Show SMILES OC[C@@H]1O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:29.31| Show InChI InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-8-4-16(5-9-19)22-13-21(35)26-20(34)11-18(33)12-23(26)40-22/h1-13,24,27-33,35,37-38H,14H2/t24-,27-,28+,29-,30-/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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				J Nat Prod 69: 1089-91 (2006) Article DOI: 10.1021/np060038a BindingDB Entry DOI: 10.7270/Q2RV0NG6
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50269380 (CHEMBL454228 | apigenin-4'-O-(2'',6''-di-O-p-couma...) Show SMILES O[C@H]1[C@H](COC(=O)C=Cc2ccc(O)cc2)O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O |r,w:7.6,42.45| Show InChI InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-13-7-23(8-14-27)30-19-29(44)35-28(43)17-26(42)18-31(35)51-30/h1-19,32,36-42,44,47-48H,20H2/t32-,36-,37+,38-,39-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				J Nat Prod 69: 1089-91 (2006) Article DOI: 10.1021/np060038a BindingDB Entry DOI: 10.7270/Q2RV0NG6
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50269379 (CHEMBL503232 | apigenin-4'-O-(6''-O-p-coumaroyl)-b...) Show SMILES O[C@H]1[C@H](COC(=O)C=Cc2ccc(O)cc2)O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](O)[C@@H]1O |r,w:7.6| Show InChI InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-8-4-16(5-9-19)22-13-21(34)26-20(33)11-18(32)12-23(26)41-22/h1-13,24,27-32,34,36-38H,14H2/t24-,27-,28+,29-,30-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				J Nat Prod 69: 1089-91 (2006) Article DOI: 10.1021/np060038a BindingDB Entry DOI: 10.7270/Q2RV0NG6
					More data for this Ligand-Target Pair