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Patent code US8853227

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
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135805
PNG
(US8853227, TK- 000008 | USRE48253, Designation TK-...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)c(COCc4ccccc4)cn23)[C@@H]1O |r|
Show InChI InChI=1S/C17H18N2O6/c20-7-12-13(21)14-16(24-12)19-6-11(15(22)18-17(19)25-14)9-23-8-10-4-2-1-3-5-10/h1-6,12-14,16,20-21H,7-9H2/t12-,13-,14+,16-/m1/s1
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n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135808
PNG
(US8853227, TK- 000011 | USRE48253, Designation TK-...)
Show SMILES Cc1cn2[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C10H11N5O4/c1-4-3-15-9-7(19-10(15)13-8(4)17)6(16)5(18-9)2-12-14-11/h3,5-7,9,16H,2H2,1H3/t5-,6-,7+,9-/m1/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135811
PNG
(US8853227, TK- 112690 | USRE48253, Designation TK-...)
Show SMILES Cc1cn2[C@@H]3O[C@H](CO)C(O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6?,7+,9-/m1/s1
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US Patent
n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135803
PNG
(US8853227, TK- 000006 | USRE48253, Designation TK-...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)c(NCc4ccccc4)cn23)[C@@H]1O |r|
Show InChI InChI=1S/C16H17N3O5/c20-8-11-12(21)13-15(23-11)19-7-10(14(22)18-16(19)24-13)17-6-9-4-2-1-3-5-9/h1-5,7,11-13,15,17,20-21H,6,8H2/t11-,12-,13+,15-/m1/s1
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n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135806
PNG
(US8853227, TK- 000009 | USRE48253, Designation TK-...)
Show SMILES COCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C11H14N2O6/c1-17-4-5-2-13-10-8(7(15)6(3-14)18-10)19-11(13)12-9(5)16/h2,6-8,10,14-15H,3-4H2,1H3/t6-,7-,8+,10-/m1/s1
PDB

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n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135807
PNG
(US8853227, TK- 000010 | USRE48253, Designation TK-...)
Show SMILES CC(=N)OCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C12H15N3O6/c1-5(13)19-4-6-2-15-11-9(8(17)7(3-16)20-11)21-12(15)14-10(6)18/h2,7-9,11,13,16-17H,3-4H2,1H3/t7-,8-,9+,11-/m1/s1
PDB

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US Patent
n/an/a>1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135809
PNG
(US8853227, TK- 000015 | USRE48253, Designation TK-...)
Show SMILES Cc1cn2[C@@H]3O[C@H](CF)C(O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C10H11FN2O4/c1-4-3-13-9-7(6(14)5(2-11)16-9)17-10(13)12-8(4)15/h3,5-7,9,14H,2H2,1H3/t5-,6?,7+,9-/m1/s1
PDB

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US Patent
n/an/a>1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135810
PNG
(US8853227, TK- 000016 | USRE48253, Designation TK-...)
Show SMILES Cc1ccc(SCc2cn3[C@@H]4O[C@H](CO)C(O)[C@@H]4Oc3nc2=O)cc1 |r|
Show InChI InChI=1S/C17H18N2O5S/c1-9-2-4-11(5-3-9)25-8-10-6-19-16-14(13(21)12(7-20)23-16)24-17(19)18-15(10)22/h2-6,12-14,16,20-21H,7-8H2,1H3/t12-,13?,14+,16-/m1/s1
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US Patent
n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Homo sapiens (Human))		BDBM135804
PNG
(US8853227, TK- 000007 | USRE48253, Designation TK-...)
Show SMILES CCOCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O |r|
Show InChI InChI=1S/C12H16N2O6/c1-2-18-5-6-3-14-11-9(8(16)7(4-15)19-11)20-12(14)13-10(6)17/h3,7-9,11,15-16H,2,4-5H2,1H3/t7-,8-,9+,11-/m1/s1
PDB

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US Patent
n/an/a<1.00E+5n/an/an/an/a7.337



Tosk, Incorporated

US Patent


Assay Description
The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 dose...

US Patent US8853227 (2014)


BindingDB Entry DOI: 10.7270/Q2D50KNM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%