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Patent code US10093631

Compile Data Set for Download or QSAR
Found 12 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
KEGG

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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))
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

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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
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

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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
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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PC cid
PC sid
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 cid
PC sid
UniChem

Similars

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
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KEGG

UniProtKB/SwissProt

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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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
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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US Patent
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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US Patent
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
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
KEGG

UniProtKB/SwissProt

DrugBank
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DrugBank
PC cid
PC sid
UniChem

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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 US10093631 (2018)

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