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Compile Data Set for Download or QSAR

Found 41 hits from Acquist LLC   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289116
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-4-ox...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O3S/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289116
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-4-ox...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O3S/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289113
PNG
(N-(4-(2H-tetrazol-5-yl)phenyl)-6-hydroxy-4-oxo-2-t...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C12H9N7O3S/c20-9(7-10(21)14-12(23)15-11(7)22)13-6-3-1-5(2-4-6)8-16-18-19-17-8/h1-4H,(H,13,20)(H,16,17,18,19)(H3,14,15,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 390n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289112
PNG
(N-(4-(2H-tetrazol-5-yl)phenyl)-6-hydroxy-2,4-dioxo...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C12H9N7O4/c20-9(7-10(21)14-12(23)15-11(7)22)13-6-3-1-5(2-4-6)8-16-18-19-17-8/h1-4H,(H,13,20)(H,16,17,18,19)(H3,14,15,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 680n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289117
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O4/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 690n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289117
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O4/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.14E+3n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289117
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O4/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.24E+3n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289115
PNG
(N-(1H-benzo[d][1,2,3]triazol-6-yl)-6-hydroxy-2,4-d...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2n[nH]nc2c1
Show InChI InChI=1S/C11H8N6O4/c18-8(7-9(19)13-11(21)14-10(7)20)12-4-1-2-5-6(3-4)16-17-15-5/h1-3H,(H,12,18)(H,15,16,17)(H3,13,14,19,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.34E+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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM37949
PNG
(US10093631, Compound Formula (Ih))
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c(F)c1
Show InChI InChI=1S/C23H31N7O/c1-23(2,3)30-22(25-26-27-30)21(19-7-5-6-8-20(19)31-4)29-15-13-28(14-16-29)17-18-9-11-24-12-10-18/h5-12,21H,13-17H2,1-4H3
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US Patent
n/an/a 1.79E+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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37947
PNG
(US10093631, Compound Formula (Ig))
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C16H22N6/c1-2-8-14(7-1)22-16(18-19-20-22)15(21-10-3-4-11-21)13-6-5-9-17-12-13/h5-6,9,12,14-15H,1-4,7-8,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.92E+3n/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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289118
PNG
(6-Hydroxy-4-oxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-oxad...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O5S/c19-9(7-10(20)16-12(24)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(22)23-18-8/h1-4H,(H,14,19)(H,15,18,22)(H3,16,17,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.29E+3n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 3.50E+3n/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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US9138393, Allo...)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM37947
PNG
(US10093631, Compound Formula (Ig))
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C16H22N6/c1-2-8-14(7-1)22-16(18-19-20-22)15(21-10-3-4-11-21)13-6-5-9-17-12-13/h5-6,9,12,14-15H,1-4,7-8,10-11H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.55E+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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289094
PNG
(6-hydroxy-N-(4-hydroxy-3-(hydroxymethyl)phenyl)-2,...)
Show SMILES OCc1cc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C12H11N3O6/c16-4-5-3-6(1-2-7(5)17)13-9(18)8-10(19)14-12(21)15-11(8)20/h1-3,16-17H,4H2,(H,13,18)(H3,14,15,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.66E+3n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289119
PNG
(6-hydroxy-2,4-dioxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O6/c19-9(7-10(20)16-12(22)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(23)24-18-8/h1-4H,(H,14,19)(H,15,18,23)(H3,16,17,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.81E+3n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM37950
PNG
(US10093631, Compound Formula (Ik))
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccncc1
Show InChI InChI=1S/C19H21N3O2/c1-11-5-12(2)7-15(6-11)9-16-10-17(23)22(18(16)24)19-20-13(3)8-14(4)21-19/h5-8,10,23-24H,9H2,1-4H3
KEGG

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PC sid
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US Patent
n/an/a 5.30E+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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37945
PNG
(US10093631, Compound Formula (Ic))
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)c(F)c1
Show InChI InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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US Patent
n/an/a 5.60E+3n/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 US10093631 (2018)

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


(Homo sapiens (Human))
BDBM37945
PNG
(US10093631, Compound Formula (Ic))
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)c(F)c1
Show InChI InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a 5.83E+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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37949
PNG
(US10093631, Compound Formula (Ih))
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c(F)c1
Show InChI InChI=1S/C23H31N7O/c1-23(2,3)30-22(25-26-27-30)21(19-7-5-6-8-20(19)31-4)29-15-13-28(14-16-29)17-18-9-11-24-12-10-18/h5-12,21H,13-17H2,1-4H3
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

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US Patent
n/an/a 5.97E+3n/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 US10093631 (2018)

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


(Homo sapiens (Human))
BDBM289094
PNG
(6-hydroxy-N-(4-hydroxy-3-(hydroxymethyl)phenyl)-2,...)
Show SMILES OCc1cc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C12H11N3O6/c16-4-5-3-6(1-2-7(5)17)13-9(18)8-10(19)14-12(21)15-11(8)20/h1-3,16-17H,4H2,(H,13,18)(H3,14,15,19,20,21)
KEGG

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PC sid
UniChem
US Patent
n/an/a 7.26E+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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289119
PNG
(6-hydroxy-2,4-dioxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O6/c19-9(7-10(20)16-12(22)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(23)24-18-8/h1-4H,(H,14,19)(H,15,18,23)(H3,16,17,20,21,22)
KEGG

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UniChem
US Patent
n/an/a 7.60E+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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289119
PNG
(6-hydroxy-2,4-dioxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O6/c19-9(7-10(20)16-12(22)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(23)24-18-8/h1-4H,(H,14,19)(H,15,18,23)(H3,16,17,20,21,22)
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US Patent
n/an/a 7.74E+3n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289118
PNG
(6-Hydroxy-4-oxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-oxad...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O5S/c19-9(7-10(20)16-12(24)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(22)23-18-8/h1-4H,(H,14,19)(H,15,18,22)(H3,16,17,20,21,24)
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n/an/a 8.01E+3n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289115
PNG
(N-(1H-benzo[d][1,2,3]triazol-6-yl)-6-hydroxy-2,4-d...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2n[nH]nc2c1
Show InChI InChI=1S/C11H8N6O4/c18-8(7-9(19)13-11(21)14-10(7)20)12-4-1-2-5-6(3-4)16-17-15-5/h1-3H,(H,12,18)(H,15,16,17)(H3,13,14,19,20,21)
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n/an/a 8.93E+3n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289112
PNG
(N-(4-(2H-tetrazol-5-yl)phenyl)-6-hydroxy-2,4-dioxo...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C12H9N7O4/c20-9(7-10(21)14-12(23)15-11(7)22)13-6-3-1-5(2-4-6)8-16-18-19-17-8/h1-4H,(H,13,20)(H,16,17,18,19)(H3,14,15,21,22,23)
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n/an/a 9.54E+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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289116
PNG
(N-(4-(1H-1,2,3-triazol-5-yl)phenyl)-6-hydroxy-4-ox...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1
Show InChI InChI=1S/C13H10N6O3S/c20-10(9-11(21)16-13(23)17-12(9)22)15-7-3-1-6(2-4-7)8-5-14-19-18-8/h1-5H,(H,15,20)(H,14,18,19)(H3,16,17,21,22,23)
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n/an/a 1.11E+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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37950
PNG
(US10093631, Compound Formula (Ik))
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccncc1
Show InChI InChI=1S/C19H21N3O2/c1-11-5-12(2)7-15(6-11)9-16-10-17(23)22(18(16)24)19-20-13(3)8-14(4)21-19/h5-8,10,23-24H,9H2,1-4H3
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n/an/a 1.43E+4n/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 US10093631 (2018)

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


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad)
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 US10093631 (2018)

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


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad)
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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289114
PNG
(N-(4-(1H-tetrazol-1-yl)phenyl)-6-hydroxy-2,4-dioxo...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C12H9N7O4/c20-9(8-10(21)15-12(23)16-11(8)22)14-6-1-3-7(4-2-6)19-5-13-17-18-19/h1-5H,(H,14,20)(H3,15,16,21,22,23)
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n/an/a 2.07E+4n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad)
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 5.25E+4n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289092
PNG
(6-hydroxy-N-(4-(methylsulfonamido)phenyl)-2,4-diox...)
Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C12H12N4O6S/c1-23(21,22)16-7-4-2-6(3-5-7)13-9(17)8-10(18)14-12(20)15-11(8)19/h2-5,16H,1H3,(H,13,17)(H3,14,15,18,19,20)
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n/an/a 8.70E+4n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289113
PNG
(N-(4-(2H-tetrazol-5-yl)phenyl)-6-hydroxy-4-oxo-2-t...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C12H9N7O3S/c20-9(7-10(21)14-12(23)15-11(7)22)13-6-3-1-5(2-4-6)8-16-18-19-17-8/h1-4H,(H,13,20)(H,16,17,18,19)(H3,14,15,21,22,23)
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n/an/a 1.47E+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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM289118
PNG
(6-Hydroxy-4-oxo-N-(4-(5-oxo-4,5-dihydro-1,2,4-oxad...)
Show SMILES Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C13H9N5O5S/c19-9(7-10(20)16-12(24)17-11(7)21)14-6-3-1-5(2-4-6)8-15-13(22)23-18-8/h1-4H,(H,14,19)(H,15,18,22)(H3,16,17,20,21,24)
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n/an/a>1.50E+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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289093
PNG
(6-hydroxy-2,4-dioxo-N-(4-(trifluoromethylsulfonami...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C12H9F3N4O6S/c13-12(14,15)26(24,25)19-6-3-1-5(2-4-6)16-8(20)7-9(21)17-11(23)18-10(7)22/h1-4,19H,(H,16,20)(H3,17,18,21,22,23)
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n/an/a 2.01E+5n/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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad)
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>3.00E+5n/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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US9138393, Allo...)
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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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 US10093658 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM37953
PNG
(US10093631, Compound Lesinurad)
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>3.00E+5n/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 US10093631 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM289091
PNG
(6-hydroxy-2,4-dioxo-N-(4-sulfamoylphenyl)-1,2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C11H10N4O6S/c12-22(20,21)6-3-1-5(2-4-6)13-8(16)7-9(17)14-11(19)15-10(7)18/h1-4H,(H,13,16)(H2,12,20,21)(H3,14,15,17,18,19)
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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 US10093658 (2018)

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


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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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 US10093631 (2018)

More data for this
Ligand-Target Pair