BindingDB logo
myBDB logout

Patent code US9428466

Compile Data Set for Download or QSAR
Found 9 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
Xanthine oxidase


(Homo sapiens (Human))
BDBM241947
PNG
(US9428466, 4'-hydroxymerbarone)
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1
Show InChI InChI=1S/C11H9N3O4S/c15-6-3-1-5(2-4-6)12-8(16)7-9(17)13-11(19)14-10(7)18/h1-4,15H,(H,12,16)(H3,13,14,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 680n/an/an/an/an/an/a



TBA

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:...


Citation and Details
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM241948
PNG
(US9428466, 4'-hydroxy-2-oxo-desthiomerbarone)
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C11H9N3O5/c15-6-3-1-5(2-4-6)12-8(16)7-9(17)13-11(19)14-10(7)18/h1-4,15H,(H,12,16)(H3,13,14,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.06E+3n/an/an/an/an/an/a



TBA

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:...


Citation and Details
More data for this
Ligand-Target Pair
Uric Acid Transporter 1 (URAT1)


(Homo sapiens (Human))
BDBM46100
PNG
(6-hydroxy-2,4-diketo-N-phenyl-1H-pyrimidine-5-carb...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C11H9N3O4/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Xanthine 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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

DrugBank
US Patent
n/an/a 2.13E+3n/an/an/an/an/an/a



TBA

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:...


Citation and Details
More data for this
Ligand-Target Pair
Uric Acid Transporter 1 (URAT1)


(Homo sapiens (Human))
BDBM241948
PNG
(US9428466, 4'-hydroxy-2-oxo-desthiomerbarone)
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C11H9N3O5/c15-6-3-1-5(2-4-6)12-8(16)7-9(17)13-11(19)14-10(7)18/h1-4,15H,(H,12,16)(H3,13,14,17,18,19)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Uric Acid Transporter 1 (URAT1)


(Homo sapiens (Human))
BDBM241949
PNG
(US9428466, Merbarone)
Show SMILES O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Uric Acid Transporter 1 (URAT1)


(Homo sapiens (Human))
BDBM241947
PNG
(US9428466, 4'-hydroxymerbarone)
Show SMILES Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1
Show InChI InChI=1S/C11H9N3O4S/c15-6-3-1-5(2-4-6)12-8(16)7-9(17)13-11(19)14-10(7)18/h1-4,15H,(H,12,16)(H3,13,14,17,18,19)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.40E+3n/an/an/an/an/an/a



TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM241949
PNG
(US9428466, Merbarone)
Show SMILES O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.74E+5n/an/an/an/an/an/a



TBA

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:...


Citation and Details
More data for this
Ligand-Target Pair
Xanthine oxidase


(Homo sapiens (Human))
BDBM46100
PNG
(6-hydroxy-2,4-diketo-N-phenyl-1H-pyrimidine-5-carb...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C11H9N3O4/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

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:...


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