Compile Data Set for Download or QSAR

Found 891 hits of ic50 data for polymerid = 50004657,5030   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499668 (US11020397, Compound Formula-(IIz)) Show SMILES CN(C)CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C17H19N7O3S/c1-24(2)7-8-28-17-20-15(26)13(16(27)21-17)14(25)19-11-5-3-10(4-6-11)12-9-18-23-22-12/h3-6,9H,7-8H2,1-2H3,(H,19,25)(H,18,22,23)(H2,20,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499645 (US11020397, Compound Formula-(IIi)) Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C16H16N6O3S/c1-8(2)26-16-19-14(24)12(15(25)20-16)13(23)18-10-5-3-9(4-6-10)11-7-17-22-21-11/h3-8H,1-2H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499646 (US11020397, Compound Formula-(IIjj)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cn2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C13H11N7O3S/c1-24-13-17-11(22)9(12(23)18-13)10(21)16-8-3-2-6(4-14-8)7-5-15-20-19-7/h2-5H,1H3,(H,14,16,21)(H,15,19,20)(H2,17,18,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499652 (US11020397, Compound Formula-(IIl)) Show SMILES CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H14N6O3S/c1-2-25-15-18-13(23)11(14(24)19-15)12(22)17-9-5-3-8(4-6-9)10-7-16-21-20-10/h3-7H,2H2,1H3,(H,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499675 (US11020397, Compound Formula-(IIee)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2Cl)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H11ClN6O3S/c1-25-14-18-12(23)10(13(24)19-14)11(22)17-8-3-2-6(4-7(8)15)9-5-16-21-20-9/h2-5H,1H3,(H,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499657 (US11020397, Compound Formula-(IIq)) Show SMILES CC(C)CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C17H18N6O3S/c1-9(2)8-27-17-20-15(25)13(16(26)21-17)14(24)19-11-5-3-10(4-6-11)12-7-18-23-22-12/h3-7,9H,8H2,1-2H3,(H,19,24)(H,18,22,23)(H2,20,21,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499681 (US11020397, Compound Formula-(II5)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2C#N)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H11N7O3S/c1-26-15-19-13(24)11(14(25)20-15)12(23)18-9-3-2-7(4-8(9)5-16)10-6-17-22-21-10/h2-4,6H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499679 (US11020397, Compound Formula-(II3)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H11F3N6O4S/c1-29-14-21-12(26)10(13(27)22-14)11(25)20-7-3-2-6(8-5-19-24-23-8)4-9(7)28-15(16,17)18/h2-5H,1H3,(H,20,25)(H,19,23,24)(H2,21,22,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499684 (US11020397, Compound Formula-(II8)) Show SMILES CSc1nc(O)c(C(=O)Nc2ncc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H10F3N7O3S/c1-28-13-21-11(26)8(12(27)22-13)10(25)20-9-6(14(15,16)17)2-5(3-18-9)7-4-19-24-23-7/h2-4H,1H3,(H,18,20,25)(H,19,23,24)(H2,21,22,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499680 (US11020397, Compound Formula-(II4)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H12F2N6O4S/c1-28-15-20-12(25)10(13(26)21-15)11(24)19-7-3-2-6(8-5-18-23-22-8)4-9(7)27-14(16)17/h2-5,14H,1H3,(H,19,24)(H,18,22,23)(H2,20,21,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499673 (US11020397, Compound Formula-(IIdd)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H11F3N6O3S/c1-28-14-21-12(26)10(13(27)22-14)11(25)20-8-3-2-6(9-5-19-24-23-9)4-7(8)15(16,17)18/h2-5H,1H3,(H,20,25)(H,19,23,24)(H2,21,22,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499683 (US11020397, Compound Formula-(II7)) Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C17H15F3N6O3S/c1-7(2)30-16-23-14(28)12(15(29)24-16)13(27)22-10-4-3-8(11-6-21-26-25-11)5-9(10)17(18,19)20/h3-7H,1-2H3,(H,22,27)(H,21,25,26)(H2,23,24,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499664 (US11020397, Compound Formula-(IIv)) Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C16H15FN6O3S/c1-7(2)27-16-20-14(25)12(15(26)21-16)13(24)19-10-4-3-8(5-9(10)17)11-6-18-23-22-11/h3-7H,1-2H3,(H,19,24)(H,18,22,23)(H2,20,21,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499670 (US11020397, Compound Formula-(IIaa)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2F)c(=O)[nH]1 Show InChI InChI=1S/C14H10F2N6O3S/c1-26-14-19-12(24)8(13(25)20-14)11(23)18-6-3-2-5(9(15)10(6)16)7-4-17-22-21-7/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.103	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499659 (US11020397, Compound Formula-(IIs)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H11FN6O3S/c1-25-14-18-12(23)10(13(24)19-14)11(22)17-8-3-2-6(4-7(8)15)9-5-16-21-20-9/h2-5H,1H3,(H,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499662 (US11020397, Compound Formula-(IIt)) Show SMILES CSc1nc(O)c(C(=O)Nc2c(F)cc(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H10F2N6O3S/c1-26-14-19-12(24)9(13(25)20-14)11(23)18-10-6(15)2-5(3-7(10)16)8-4-17-22-21-8/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499686 (US11020397, Compound Formula-(II10)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc3nc(ccc3c2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C17H13N7O3S/c1-28-17-21-15(26)13(16(27)22-17)14(25)19-9-3-5-10-8(6-9)2-4-11(20-10)12-7-18-24-23-12/h2-7H,1H3,(H,19,25)(H,18,23,24)(H2,21,22,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499656 (US11020397, Compound Formula-(IIp)) Show SMILES CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]n2)c(=O)[nH]1 Show InChI InChI=1S/C14H13N7O3S/c1-2-25-14-16-12(23)9(13(24)17-14)11(22)15-8-5-3-7(4-6-8)10-18-20-21-19-10/h3-6H,2H2,1H3,(H,15,22)(H2,16,17,23,24)(H,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499671 (US11020397, Compound Formula-(IIbb)) Show SMILES CN(C)CCSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C17H18FN7O3S/c1-25(2)5-6-29-17-21-15(27)13(16(28)22-17)14(26)20-11-4-3-9(7-10(11)18)12-8-19-24-23-12/h3-4,7-8H,5-6H2,1-2H3,(H,20,26)(H,19,23,24)(H2,21,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.206	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499658 (US11020397, Compound Formula-(IIr)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1 Show InChI InChI=1S/C14H11FN6O3S/c1-25-14-18-12(23)10(13(24)19-14)11(22)17-6-2-3-7(8(15)4-6)9-5-16-21-20-9/h2-5H,1H3,(H,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499687 (US11020397, Compound Formula-(II11)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc3nc(ccc3c2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C18H12F3N7O3S/c1-32-17-25-15(30)12(16(31)26-17)14(29)24-10-5-4-8-7(13(10)18(19,20)21)2-3-9(23-8)11-6-22-28-27-11/h2-6H,1H3,(H,24,29)(H,22,27,28)(H2,25,26,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499651 (US11020397, Compound Formula-(IIk)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nnc[nH]2)c(=O)[nH]1 Show InChI InChI=1S/C14H12N6O3S/c1-24-14-18-12(22)9(13(23)19-14)11(21)17-8-4-2-7(3-5-8)10-15-6-16-20-10/h2-6H,1H3,(H,17,21)(H,15,16,20)(H2,18,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499674 (US11020397, Compound Formula-(IIkk)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(nn2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C12H10N8O3S/c1-24-12-15-10(22)8(11(23)16-12)9(21)14-7-3-2-5(17-19-7)6-4-13-20-18-6/h2-4H,1H3,(H,13,18,20)(H,14,19,21)(H2,15,16,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.315	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499667 (US11020397, Compound Formula-(IIy)) Show SMILES CSc1nc(O)c(C(=O)Nc2c(Cl)cc(cc2Cl)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H10Cl2N6O3S/c1-26-14-19-12(24)9(13(25)20-14)11(23)18-10-6(15)2-5(3-7(10)16)8-4-17-22-21-8/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499649 (US11020397, Compound Formula-(IIii)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(nc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C13H11N7O3S/c1-24-13-17-11(22)9(12(23)18-13)10(21)16-6-2-3-7(14-4-6)8-5-15-20-19-8/h2-5H,1H3,(H,16,21)(H,15,19,20)(H2,17,18,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.377	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449101 (CHEMBL3127130) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1C#N Show InChI InChI=1S/C16H15N5O2/c1-9(2)8-23-13-4-3-10(5-11(13)6-17)14-12(7-18)15(22)21-16(19)20-14/h3-5,9H,8H2,1-2H3,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499672 (US11020397, Compound Formula-(IIcc)) Show SMILES CSc1nc(O)c(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C14H10F2N6O3S/c1-26-14-19-12(24)10(13(25)20-14)11(23)18-8-3-6(15)5(2-7(8)16)9-4-17-22-21-9/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.519	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499685 (US11020397, Compound Formula-(II9)) Show SMILES CSc1nc(O)c(C(=O)Nc2ncc(cc2F)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C13H10FN7O3S/c1-25-13-18-11(23)8(12(24)19-13)10(22)17-9-6(14)2-5(3-15-9)7-4-16-21-20-7/h2-4H,1H3,(H,15,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499678 (US11020397, Compound Formula-(II2)) Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(Cl)c2)c(=O)[nH]1 Show InChI InChI=1S/C14H11ClN6O3S/c1-25-14-18-12(23)10(13(24)19-14)11(22)17-6-2-3-7(8(15)4-6)9-5-16-21-20-9/h2-5H,1H3,(H,17,22)(H,16,20,21)(H2,18,19,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449100 (CHEMBL3127135) Show SMILES Nc1nc(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C17H15F3N4O4/c18-17(19,20)28-13-5-10(14-11(6-21)15(25)24-16(22)23-14)1-2-12(13)27-8-9-3-4-26-7-9/h1-2,5,9H,3-4,7-8H2,(H3,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499665 (US11020397, Compound Formula-(IIw)) Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1 Show InChI InChI=1S/C16H15FN6O3S/c1-7(2)27-16-20-14(25)12(15(26)21-16)13(24)19-8-3-4-9(10(17)5-8)11-6-18-23-22-11/h3-7H,1-2H3,(H,19,24)(H,18,22,23)(H2,20,21,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449104 (CHEMBL3127117) Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(OC(F)(F)F)c1 Show InChI InChI=1S/C16H15ClF3N3O4/c17-12-13(22-15(21)23-14(12)24)9-1-2-10(11(5-9)27-16(18,19)20)26-7-8-3-4-25-6-8/h1-2,5,8H,3-4,6-7H2,(H3,21,22,23,24)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499660 (US11020397, Compound Formula-(IIll)) Show SMILES CCNc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1 Show InChI InChI=1S/C15H15N7O3/c1-2-16-15-19-13(24)11(14(25)20-15)12(23)18-9-5-3-8(4-6-9)10-7-17-22-21-10/h3-7H,2H2,1H3,(H,18,23)(H,17,21,22)(H3,16,19,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499655 (US11020397, Compound Formula-(IIo)) Show SMILES Oc1nc(SCC2CC2)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C17H16N6O3S/c24-14(19-11-5-3-10(4-6-11)12-7-18-23-22-12)13-15(25)20-17(21-16(13)26)27-8-9-1-2-9/h3-7,9H,1-2,8H2,(H,19,24)(H,18,22,23)(H2,20,21,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449106 (CHEMBL3127137) Show SMILES CC(C)COc1ccc(cc1C(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N Show InChI InChI=1S/C16H15F3N4O2/c1-8(2)7-25-12-4-3-9(5-11(12)16(17,18)19)13-10(6-20)14(24)23-15(21)22-13/h3-5,8H,7H2,1-2H3,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449108 (CHEMBL3127134) Show SMILES Nc1nc(-c2ccc(OCC3CC3)c(c2)C#N)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C16H13N5O2/c17-6-11-5-10(3-4-13(11)23-8-9-1-2-9)14-12(7-18)15(22)21-16(19)20-14/h3-5,9H,1-2,8H2,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352052 (US9802907, Compound 37) Show SMILES CC(C)Sc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C15H14N2O2SSe/c1-8(2)20-12-5-4-10(6-11(12)7-16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,1-3H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449111 (CHEMBL3127131) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(N)[nH]c(=O)c1Cl Show InChI InChI=1S/C15H15ClN4O2/c1-8(2)7-22-11-4-3-9(5-10(11)6-17)13-12(16)14(21)20-15(18)19-13/h3-5,8H,7H2,1-2H3,(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50449099 (CHEMBL3127114) Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C#N Show InChI InChI=1S/C16H15ClN4O3/c17-13-14(20-16(19)21-15(13)22)10-1-2-12(11(5-10)6-18)24-8-9-3-4-23-7-9/h1-2,5,9H,3-4,7-8H2,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352045 (US9802907, Compound 24) Show SMILES COc1ccccc1-c1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C19H14N2O3Se/c1-11-17(19(22)23)25-18(21-11)12-7-8-14(13(9-12)10-20)15-5-3-4-6-16(15)24-2/h3-9H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.67	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352035 (US9802907, Compound 14 | US9802907, Compound 23 | ...) Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N Show InChI InChI=1S/C18H12N2O2Se/c1-11-16(18(21)22)23-17(20-11)13-7-8-15(14(9-13)10-19)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM499647 (US11020397, Compound Formula-(IIgg)) Show SMILES COc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]c2C)c(=O)[nH]1 Show InChI InChI=1S/C15H14N6O4/c1-7-11(20-21-19-7)8-3-5-9(6-4-8)16-12(22)10-13(23)17-15(25-2)18-14(10)24/h3-6H,1-2H3,(H,16,22)(H,19,20,21)(H2,17,18,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021) BindingDB Entry DOI: 10.7270/Q2JQ1453
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50057017 (CHEMBL3331615 | US9802907, Compound 7) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C16H16N2O3Se/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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.05	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352071 (US9802907, Compound 81) Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(SC(C)(C)C)c(c1)C#N Show InChI InChI=1S/C16H16N2O2SSe/c1-9-13(15(19)20)22-14(18-9)10-5-6-12(11(7-10)8-17)21-16(2,3)4/h5-7H,1-4H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50057019 (CHEMBL3331613 | US9802907, Compound 6) Show SMILES CCOc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C14H12N2O3Se/c1-3-19-11-5-4-9(6-10(11)7-15)13-16-8(2)12(20-13)14(17)18/h4-6H,3H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.29	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352059 (US9802907, Compound 44) Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(N2CCOCC2)c(c1)C#N Show InChI InChI=1S/C16H15N3O3Se/c1-10-14(16(20)21)23-15(18-10)11-2-3-13(12(8-11)9-17)19-4-6-22-7-5-19/h2-3,8H,4-7H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352035 (US9802907, Compound 14 | US9802907, Compound 23 | ...) Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(-c2ccccc2)c(c1)C#N Show InChI InChI=1S/C18H12N2O2Se/c1-11-16(18(21)22)23-17(20-11)13-7-8-15(14(9-13)10-19)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.37	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50056991 (CHEMBL3331621 | US9802907, Compound 8) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C15H14N2O3Se/c1-8(2)20-12-5-4-10(6-11(12)7-16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,1-3H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM352072 (US9802907, Compound 83) Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(SC2CCCCC2)c(c1)C#N Show InChI InChI=1S/C18H18N2O2SSe/c1-11-16(18(21)22)24-17(20-11)12-7-8-15(13(9-12)10-19)23-14-5-3-2-4-6-14/h7-9,14H,2-6H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair

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