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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Uridine phosphorylase (UPase)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (UPase)


(Homo sapiens (Human))
BDBM50330391
PNG
(5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...)
Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
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1.10n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human uridine phosphorylase


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50078082
PNG
(5-(3-Benzyloxy-benzyl)-pyrimidine-2,4,6-trione | C...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-13-7-4-8-14(9-13)24-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H3,19,20,21,22,23)
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2.30E+3n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human uridine phosphorylase


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135804
PNG
(US8853227, TK- 000007)
Show SMILES CCOCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135803
PNG
(US8853227, TK- 000006)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)c(NCc4ccccc4)cn23)[C@@H]1O
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135806
PNG
(US8853227, TK- 000009)
Show SMILES COCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135807
PNG
(US8853227, TK- 000010)
Show SMILES CC(=N)OCc1cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135805
PNG
(US8853227, TK- 000008)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)c(COCc4ccccc4)cn23)[C@@H]1O
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135810
PNG
(US8853227, TK- 000016)
Show SMILES Cc1ccc(SCc2cn3[C@@H]4O[C@H](CO)C(O)[C@@H]4Oc3nc2=O)cc1
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135809
PNG
(US8853227, TK- 000015)
Show SMILES Cc1cn2[C@@H]3O[C@H](CF)C(O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135808
PNG
(US8853227, TK- 000011)
Show SMILES Cc1cn2[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM135811
PNG
(US8853227, TK- 112690)
Show SMILES Cc1cn2[C@@H]3O[C@H](CO)C(O)[C@@H]3Oc2nc1=O
Show InChI InChI=1/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-/s2
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n/an/a<1.00E+5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443011
PNG
(CHEMBL3087493)
Show SMILES CN(C)Cc1c(O)[nH]c(=O)c(C#N)c1C
Show InChI InChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
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n/an/an/a 4.20E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443012
PNG
(CHEMBL3087492)
Show SMILES Cc1c(CNCC(O)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)4-13-3-7(16)5-15/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443013
PNG
(CHEMBL3087491)
Show SMILES Cc1c(CNC(CO)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)3-13-7(4-15)5-16/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 5.30E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443014
PNG
(CHEMBL3086521)
Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443015
PNG
(CHEMBL3086508)
Show SMILES Oc1ccc(C#N)c(=O)[nH]1
Show InChI InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
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n/an/an/a 2.90E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443010
PNG
(CHEMBL3086510)
Show SMILES Cc1cc(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
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n/an/an/a 20n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 200 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
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n/an/an/a 6.60E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443011
PNG
(CHEMBL3087493)
Show SMILES CN(C)Cc1c(O)[nH]c(=O)c(C#N)c1C
Show InChI InChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443012
PNG
(CHEMBL3087492)
Show SMILES Cc1c(CNCC(O)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)4-13-3-7(16)5-15/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 9.40E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443013
PNG
(CHEMBL3087491)
Show SMILES Cc1c(CNC(CO)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)3-13-7(4-15)5-16/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 7.00E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443014
PNG
(CHEMBL3086521)
Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)
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n/an/an/a 3.80E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443010
PNG
(CHEMBL3086510)
Show SMILES Cc1cc(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
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n/an/an/a 40n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443015
PNG
(CHEMBL3086508)
Show SMILES Oc1ccc(C#N)c(=O)[nH]1
Show InChI InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
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n/an/an/a 127n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443010
PNG
(CHEMBL3086510)
Show SMILES Cc1cc(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
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n/an/an/a 1.20E+4n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443014
PNG
(CHEMBL3086521)
Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)
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n/an/an/a 151n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443013
PNG
(CHEMBL3087491)
Show SMILES Cc1c(CNC(CO)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)3-13-7(4-15)5-16/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 502n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443011
PNG
(CHEMBL3087493)
Show SMILES CN(C)Cc1c(O)[nH]c(=O)c(C#N)c1C
Show InChI InChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
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n/an/an/a 7.40E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443011
PNG
(CHEMBL3087493)
Show SMILES CN(C)Cc1c(O)[nH]c(=O)c(C#N)c1C
Show InChI InChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
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n/an/an/a 312n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
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n/an/an/a 1.40E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443015
PNG
(CHEMBL3086508)
Show SMILES Oc1ccc(C#N)c(=O)[nH]1
Show InChI InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
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n/an/an/a 108n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443010
PNG
(CHEMBL3086510)
Show SMILES Cc1cc(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
PDB

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n/an/an/a 1.40E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443014
PNG
(CHEMBL3086521)
Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)
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n/an/an/a 2.30E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443013
PNG
(CHEMBL3087491)
Show SMILES Cc1c(CNC(CO)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)3-13-7(4-15)5-16/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 7.00E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443012
PNG
(CHEMBL3087492)
Show SMILES Cc1c(CNCC(O)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)4-13-3-7(16)5-15/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
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n/an/an/a 4.60E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


Citation and Details
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50443012
PNG
(CHEMBL3087492)
Show SMILES Cc1c(CNCC(O)CO)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C11H15N3O4/c1-6-8(2-12)10(17)14-11(18)9(6)4-13-3-7(16)5-15/h7,13,15-16H,3-5H2,1H3,(H2,14,17,18)
PDB

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n/an/an/a 263n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


Citation and Details
More data for this
Ligand-Target Pair