Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'yuan' and Initial = 'wy'   

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))	BDBM50234442 (CHEMBL4069614) Show SMILES O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1 Show InChI InChI=1S/C25H17N3O4/c29-14-17-5-1-4-8-23(17)32-15-18-13-28(27-26-18)12-16-9-10-21-22(11-16)25(31)20-7-3-2-6-19(20)24(21)30/h1-11,13-14H,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex using xanthine as substrate after 60 secs by Lineweaver-Burk pl...				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234442 (CHEMBL4069614) Show SMILES O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1 Show InChI InChI=1S/C25H17N3O4/c29-14-17-5-1-4-8-23(17)32-15-18-13-28(27-26-18)12-16-9-10-21-22(11-16)25(31)20-7-3-2-6-19(20)24(21)30/h1-11,13-14H,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor-substrate complex using xanthine as substrate after 60 secs by Lineweav...				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234442 (CHEMBL4069614) Show SMILES O=Cc1ccccc1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1 Show InChI InChI=1S/C25H17N3O4/c29-14-17-5-1-4-8-23(17)32-15-18-13-28(27-26-18)12-16-9-10-21-22(11-16)25(31)20-7-3-2-6-19(20)24(21)30/h1-11,13-14H,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234443 (CHEMBL4096778) Show SMILES Fc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c(C=O)c1 Show InChI InChI=1S/C25H16FN3O4/c26-17-6-8-23(16(10-17)13-30)33-14-18-12-29(28-27-18)11-15-5-7-21-22(9-15)25(32)20-4-2-1-3-19(20)24(21)31/h1-10,12-13H,11,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234445 (CHEMBL4067863) Show SMILES Fc1ccc(C=O)c(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c1 Show InChI InChI=1S/C25H16FN3O4/c26-17-7-6-16(13-30)23(10-17)33-14-18-12-29(28-27-18)11-15-5-8-21-22(9-15)25(32)20-4-2-1-3-19(20)24(21)31/h1-10,12-13H,11,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234447 (CHEMBL4095793) Show SMILES CCCCCCn1cc(COc2ccc(F)cc2C=O)nn1 Show InChI InChI=1S/C16H20FN3O2/c1-2-3-4-5-8-20-10-15(18-19-20)12-22-16-7-6-14(17)9-13(16)11-21/h6-7,9-11H,2-5,8,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50140241 (Allopurinol | Aloral | Aluline 100 | Aluline 300 |...) Show SMILES O=c1[nH]cnc2[nH]ncc12 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 MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234441 (CHEMBL4096835) Show SMILES O=Cc1cccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c1 Show InChI InChI=1S/C25H17N3O4/c29-14-17-4-3-5-19(10-17)32-15-18-13-28(27-26-18)12-16-8-9-22-23(11-16)25(31)21-7-2-1-6-20(21)24(22)30/h1-11,13-14H,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234440 (CHEMBL4088184) Show SMILES COc1cc(C=O)cc(OC)c1OCc1cn(Cc2ccc3C(=O)c4ccccc4C(=O)c3c2)nn1 Show InChI InChI=1S/C27H21N3O6/c1-34-23-10-17(14-31)11-24(35-2)27(23)36-15-18-13-30(29-28-18)12-16-7-8-21-22(9-16)26(33)20-6-4-3-5-19(20)25(21)32/h3-11,13-14H,12,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234446 (CHEMBL4061956) Show SMILES Fc1ccc(OCc2cn(Cc3ccccc3)nn2)c(C=O)c1 Show InChI InChI=1S/C17H14FN3O2/c18-15-6-7-17(14(8-15)11-22)23-12-16-10-21(20-19-16)9-13-4-2-1-3-5-13/h1-8,10-11H,9,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234439 (CHEMBL4104562) Show SMILES O=Cc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)cc1 Show InChI InChI=1S/C25H17N3O4/c29-14-16-5-8-19(9-6-16)32-15-18-13-28(27-26-18)12-17-7-10-22-23(11-17)25(31)21-4-2-1-3-20(21)24(22)30/h1-11,13-14H,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50234444 (CHEMBL4078753) Show SMILES Clc1ccc(OCc2cn(Cc3ccc4C(=O)c5ccccc5C(=O)c4c3)nn2)c(C=O)c1 Show InChI InChI=1S/C25H16ClN3O4/c26-17-6-8-23(16(10-17)13-30)33-14-18-12-29(28-27-18)11-15-5-7-21-22(9-15)25(32)20-4-2-1-3-19(20)24(21)31/h1-10,12-13H,11,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry				Bioorg Med Chem Lett 27: 729-732 (2017) Article DOI: 10.1016/j.bmcl.2017.01.049 BindingDB Entry DOI: 10.7270/Q2GX4DS2
					More data for this Ligand-Target Pair