Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'frasinyuk' and Initial = 'ms'   

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))	BDBM50253763 (CHEMBL4067565) Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1 Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253763 (CHEMBL4067565) Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1 Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253764 (CHEMBL4078467) Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weav...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253764 (CHEMBL4078467) Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527393 (CHEMBL4446895) Show SMILES Oc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)15-11(7-1-3-8(22)4-2-7)12(20-21-15)9-5-6-10(23)14(25)13(9)24/h1-6,22-25H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal 6His-tagged human GYS1 using UDPG as substrate in presence of G-6-P by 14C-glucose incorporation based Michaelis...				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253764 (CHEMBL4078467) Show SMILES CC(=C)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16O5/c1-12(2)11-24-15-7-8-16-17(10-15)25-18(19(16)21)9-13-3-5-14(6-4-13)20(22)23/h3-10H,1,11H2,2H3,(H,22,23)/b18-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253766 (CHEMBL4102721) Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1 Show InChI InChI=1S/C23H16O5/c24-22-19-11-10-18(27-14-16-4-2-1-3-5-16)13-20(19)28-21(22)12-15-6-8-17(9-7-15)23(25)26/h1-13H,14H2,(H,25,26)/b21-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253837 (CHEMBL4086326) Show SMILES Cc1ccc(C)c(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C25H20O5/c1-15-3-4-16(2)19(11-15)14-29-20-9-10-21-22(13-20)30-23(24(21)26)12-17-5-7-18(8-6-17)25(27)28/h3-13H,14H2,1-2H3,(H,27,28)/b23-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253840 (CHEMBL4066914) Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C16H10O5/c17-11-5-6-12-13(8-11)21-14(15(12)18)7-9-1-3-10(4-2-9)16(19)20/h1-8,17H,(H,19,20)/b14-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253765 (CHEMBL4064851) Show SMILES OC(=O)c1ccc(\C=C2/Oc3cc(OCc4cccc5ccccc45)ccc3C2=O)cc1 Show InChI InChI=1S/C27H18O5/c28-26-23-13-12-21(31-16-20-6-3-5-18-4-1-2-7-22(18)20)15-24(23)32-25(26)14-17-8-10-19(11-9-17)27(29)30/h1-15H,16H2,(H,29,30)/b25-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253838 (CHEMBL4094987) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12O5/c1-21-12-6-7-13-14(9-12)22-15(16(13)18)8-10-2-4-11(5-3-10)17(19)20/h2-9H,1H3,(H,19,20)/b15-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253799 (CHEMBL4097460) Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H12O7/c19-16(20)9-24-12-5-6-13-14(8-12)25-15(17(13)21)7-10-1-3-11(4-2-10)18(22)23/h1-8H,9H2,(H,19,20)(H,22,23)/b15-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253800 (CHEMBL4093490) Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1Cl Show InChI InChI=1S/C17H11ClO5/c18-13-4-2-1-3-10(13)7-15-17(21)12-6-5-11(8-14(12)23-15)22-9-16(19)20/h1-8H,9H2,(H,19,20)/b15-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253763 (CHEMBL4067565) Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)c(OC)c1 Show InChI InChI=1S/C19H16O7/c1-23-12-4-3-11(15(8-12)24-2)7-17-19(22)14-6-5-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253839 (CHEMBL4079426) Show SMILES COc1ccccc1\C=C1/Oc2cc(OCC(O)=O)ccc2C1=O Show InChI InChI=1S/C18H14O6/c1-22-14-5-3-2-4-11(14)8-16-18(21)13-7-6-12(9-15(13)24-16)23-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)/b16-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253798 (CHEMBL4105165) Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(O)=O)ccc3C2=O)cc1 Show InChI InChI=1S/C18H14O6/c1-22-12-4-2-11(3-5-12)8-16-18(21)14-7-6-13(9-15(14)24-16)23-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)/b16-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527393 (CHEMBL4446895) Show SMILES Oc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)15-11(7-1-3-8(22)4-2-7)12(20-21-15)9-5-6-10(23)14(25)13(9)24/h1-6,22-25H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50580 ((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253767 (CHEMBL4087307) Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1C(O)=O Show InChI InChI=1S/C18H12O7/c19-16(20)9-24-11-5-6-13-14(8-11)25-15(17(13)21)7-10-3-1-2-4-12(10)18(22)23/h1-8H,9H2,(H,19,20)(H,22,23)/b15-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50253801 (CHEMBL4072779) Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1 Show InChI InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(9-12)22-15(17(13)20)8-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)/b15-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by...				Bioorg Med Chem 25: 3606-3613 (2017) Article DOI: 10.1016/j.bmc.2017.04.048 BindingDB Entry DOI: 10.7270/Q22R3V3N
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527392 (CHEMBL4540791) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccc(cc2)[N+]([O-])=O)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C16H10F3N3O5/c17-16(18,19)15-11(7-1-3-8(4-2-7)22(26)27)12(20-21-15)9-5-6-10(23)14(25)13(9)24/h1-6,23-25H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527395 (CHEMBL4475137) Show SMILES Oc1ccc(cc1)-c1c[nH]nc1-c1ccc(O)c(O)c1O Show InChI InChI=1S/C15H12N2O4/c18-9-3-1-8(2-4-9)11-7-16-17-13(11)10-5-6-12(19)15(21)14(10)20/h1-7,18-21H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527401 (CHEMBL4542006) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccc(cc2)C#N)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C17H10F3N3O3/c18-17(19,20)16-12(9-3-1-8(7-21)2-4-9)13(22-23-16)10-5-6-11(24)15(26)14(10)25/h1-6,24-26H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527391 (CHEMBL4557551) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccc(Cl)c(Cl)c2)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C16H9Cl2F3N2O3/c17-8-3-1-6(5-9(8)18)11-12(22-23-15(11)16(19,20)21)7-2-4-10(24)14(26)13(7)25/h1-5,24-26H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527397 (CHEMBL4566254) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccc(F)cc2)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C16H10F4N2O3/c17-8-3-1-7(2-4-8)11-12(21-22-15(11)16(18,19)20)9-5-6-10(23)14(25)13(9)24/h1-6,23-25H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527400 (CHEMBL4474925) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C16H11F3N2O3/c17-16(18,19)15-11(8-4-2-1-3-5-8)12(20-21-15)9-6-7-10(22)14(24)13(9)23/h1-7,22-24H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50467448 (CHEMBL4280001) Show SMILES Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)c(Cl)c2)c(O)c1O Show InChI InChI=1S/C15H10Cl2N2O3/c16-10-3-1-7(5-11(10)17)9-6-18-19-13(9)8-2-4-12(20)15(22)14(8)21/h1-6,20-22H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527394 (CHEMBL4447706) Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccc(Cl)cc2)C(F)(F)F)c(O)c1O Show InChI InChI=1S/C16H10ClF3N2O3/c17-8-3-1-7(2-4-8)11-12(21-22-15(11)16(18,19)20)9-5-6-10(23)14(25)13(9)24/h1-6,23-25H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527398 (CHEMBL4468954) Show SMILES Oc1ccc(-c2n[nH]cc2-c2ccc(cc2)[N+]([O-])=O)c(O)c1O Show InChI InChI=1S/C15H11N3O5/c19-12-6-5-10(14(20)15(12)21)13-11(7-16-17-13)8-1-3-9(4-2-8)18(22)23/h1-7,19-21H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527399 (CHEMBL1092945) Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C16H13ClN2O3/c1-8-13(9-2-4-10(17)5-3-9)14(19-18-8)11-6-7-12(20)16(22)15(11)21/h2-7,20-22H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527396 (CHEMBL4469422) Show SMILES Oc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1cc(F)c(O)cc1O Show InChI InChI=1S/C16H10F4N2O3/c17-10-5-9(11(24)6-12(10)25)14-13(7-1-3-8(23)4-2-7)15(22-21-14)16(18,19)20/h1-6,23-25H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527402 (CHEMBL4587427) Show SMILES OC(=O)CCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1 Show InChI InChI=1S/C19H17NO3/c21-17-10-6-15(7-11-17)20-16(9-13-19(22)23)8-12-18(20)14-4-2-1-3-5-14/h1-8,10-12,21H,9,13H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair
Glycogen [starch] synthase, muscle (Homo sapiens (Human))	BDBM50527403 (CHEMBL4450694) Show SMILES COc1cc(ccc1O)-c1c(ncn1CCC1CCCN1C)-c1ccccc1 Show InChI InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay				J Med Chem 63: 3538-3551 (2020) Article DOI: 10.1021/acs.jmedchem.9b01851 BindingDB Entry DOI: 10.7270/Q2MS3X64
					More data for this Ligand-Target Pair