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Patent code US11020397

Compile Data Set for Download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499668
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499646
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499652
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499645
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499675
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499681
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499657
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499684
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499680
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499679
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499673
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499683
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499664
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499670
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499659
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499662
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499686
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499656
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499671
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499658
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499687
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499651
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499674
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499667
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499649
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499672
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499685
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499678
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499665
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499660
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499655
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499647
PNG
(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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499661
PNG
(US11020397, Compound Formula-(IImm))
Show SMILES CCN(C)c1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1
Show InChI InChI=1S/C16H17N7O3/c1-3-23(2)16-19-14(25)12(15(26)20-16)13(24)18-10-6-4-9(5-7-10)11-8-17-22-21-11/h4-8H,3H2,1-2H3,(H,18,24)(H,17,21,22)(H2,19,20,25,26)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499644
PNG
(US11020397, Compound Formula-(IIff))
Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]c2C)c(=O)[nH]1
Show InChI InChI=1S/C15H14N6O3S/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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US10752613, Com...)
Show SMILES Oc1ncnc2[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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US10752613, Com...)
Show SMILES Oc1ncnc2[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)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499654
PNG
(US11020397, Compound Formula-(IIn))
Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nnc[nH]2)c(=O)[nH]1
Show InChI InChI=1S/C16H16N6O3S/c1-8(2)26-16-20-14(24)11(15(25)21-16)13(23)19-10-5-3-9(4-6-10)12-17-7-18-22-12/h3-8H,1-2H3,(H,19,23)(H,17,18,22)(H2,20,21,24,25)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499663
PNG
(US11020397, Compound Formula-(IIu))
Show SMILES CSc1nc(O)c(C(=O)Nc2cc(F)c(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1
Show InChI InChI=1S/C14H10F2N6O3S/c1-26-14-19-12(24)10(13(25)20-14)11(23)18-5-2-6(15)9(7(16)3-5)8-4-17-22-21-8/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499669
PNG
(US11020397, Compound Formula-(Io))
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ncc(s1)-c1c[nH]nn1
Show InChI InChI=1S/C10H7N7O4S/c18-6-5(7(19)14-9(21)13-6)8(20)15-10-11-2-4(22-10)3-1-12-17-16-3/h1-2H,(H,11,15,20)(H,12,16,17)(H3,13,14,18,19,21)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499653
PNG
(US11020397, Compound Formula-(IIm))
Show SMILES CSc1nc(O)c(C(=O)Nc2cccc(c2)-c2c[nH]nn2)c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3S/c1-24-14-17-12(22)10(13(23)18-14)11(21)16-8-4-2-3-7(5-8)9-6-15-20-19-9/h2-6H,1H3,(H,16,21)(H,15,19,20)(H2,17,18,22,23)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499682
PNG
(US11020397, Compound Formula-(II6))
Show SMILES CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(c2)C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C15H11F3N6O3S/c1-28-14-21-12(26)10(13(27)22-14)11(25)20-6-2-3-7(9-5-19-24-23-9)8(4-6)15(16,17)18/h2-5H,1H3,(H,20,25)(H,19,23,24)(H2,21,22,26,27)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499648
PNG
(US11020397, Compound Formula-(IIhh))
Show SMILES CSc1nc(O)c(C(=O)NC23CC(C2)(C3)c2c[nH]nn2)c(=O)[nH]1
Show InChI InChI=1S/C13H14N6O3S/c1-23-11-15-8(20)7(9(21)16-11)10(22)17-13-3-12(4-13,5-13)6-2-14-19-18-6/h2H,3-5H2,1H3,(H,17,22)(H,14,18,19)(H2,15,16,20,21)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad | US10336710, Lesin...)
Show SMILES OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O3/c1-18-13-14-19(2)21(16-18)29(17-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-15-26-22/h5-6,10,13-16,20H,3-4,7-9,11-12,17H2,1-2H3,(H,27,31)(H,26,28,30)
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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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM499650
PNG
(US11020397, Compound Formula-(IIj))
Show SMILES Oc1nc(SC(F)(F)F)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C14H9F3N6O3S/c15-14(16,17)27-13-20-11(25)9(12(26)21-13)10(24)19-7-3-1-6(2-4-7)8-5-18-23-22-8/h1-5H,(H,19,24)(H,18,22,23)(H2,20,21,25,26)
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n/an/a>300n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad | US10336710, Lesin...)
Show SMILES OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O3/c1-18-13-14-19(2)21(16-18)29(17-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-15-26-22/h5-6,10,13-16,20H,3-4,7-9,11-12,17H2,1-2H3,(H,27,31)(H,26,28,30)
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n/an/a>300n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499645
PNG
(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)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499658
PNG
(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)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499680
PNG
(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)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499652
PNG
(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)
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n/an/a 2.43E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499659
PNG
(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)
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Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499679
PNG
(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)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499681
PNG
(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)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499646
PNG
(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)
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Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499651
PNG
(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)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499657
PNG
(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)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499664
PNG
(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)
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n/an/a 1.85E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad | US10336710, Lesin...)
Show SMILES OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O3/c1-18-13-14-19(2)21(16-18)29(17-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-15-26-22/h5-6,10,13-16,20H,3-4,7-9,11-12,17H2,1-2H3,(H,27,31)(H,26,28,30)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad | US10336710, Lesin...)
Show SMILES OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O3/c1-18-13-14-19(2)21(16-18)29(17-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-15-26-22/h5-6,10,13-16,20H,3-4,7-9,11-12,17H2,1-2H3,(H,27,31)(H,26,28,30)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499662
PNG
(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)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499684
PNG
(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)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499666
PNG
(US11020397, Compound Formula-(IIx))
Show SMILES CC(C)Sc1nc(O)c(C(=O)Nc2c(F)cc(cc2F)-c2c[nH]nn2)c(=O)[nH]1
Show InChI InChI=1S/C16H14F2N6O3S/c1-6(2)28-16-21-14(26)11(15(27)22-16)13(25)20-12-8(17)3-7(4-9(12)18)10-5-19-24-23-10/h3-6H,1-2H3,(H,20,25)(H,19,23,24)(H2,21,22,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499665
PNG
(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)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499649
PNG
(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)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499656
PNG
(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)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499671
PNG
(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)
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n/an/a>9.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499670
PNG
(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)
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n/an/a>9.00E+4n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499686
PNG
(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)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM499683
PNG
(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)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US10752613, Com...)
Show SMILES Oc1ncnc2[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)
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PC sid
UniChem
US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US10752613, Com...)
Show SMILES Oc1ncnc2[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)
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PC sid
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n/an/a>3.00E+5n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...


US Patent US11020397 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%