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61 similar compounds to monomer 50292724

Compile data set for download or QSAR
Wt: 339.1
BDBM21338
Wt: 338.2
BDBM21339
Wt: 342.1
BDBM27943
Wt: 308.1
BDBM50028108
Purchase
Wt: 484.1
BDBM50023910
Wt: 342.6
BDBM50028374
Wt: 402.1
BDBM50096295
Wt: 484.1
BDBM50118213
Purchase
Wt: 404.1
BDBM50118239
Purchase
Wt: 308.1
BDBM50186267
Purchase
Wt: 630.3
BDBM50194157
Wt: 388.1
BDBM50194161
Wt: 418.1
BDBM50194162
Wt: 340.1
BDBM50199178
Wt: 338.2
BDBM50199179
Displayed 1 to 15 (of 61 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 112 hits for monomerid = 21338,21339,27943,50028108,50023910,50028374,50096295,50118213,50118239,50186267,50194157,50194161,50194162,50199178,50199179   
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
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50199178
PNG
(1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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0.00880n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase


Bioorg Med Chem 18: 4032-41 (2010)


Article DOI: 10.1016/j.bmc.2010.04.017
BindingDB Entry DOI: 10.7270/Q24T6KBX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50199178
PNG
(1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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0.00900 -15.1n/an/an/an/an/an/a25



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase after overnight incubation at room temperature by VP-ITC microcalorimetry


Bioorg Med Chem 18: 4032-41 (2010)


Article DOI: 10.1016/j.bmc.2010.04.017
BindingDB Entry DOI: 10.7270/Q24T6KBX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50096295
PNG
(Uridine | Uridine dinucleoside 5'-polyphosphate an...)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2
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2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50096295
PNG
(Uridine | Uridine dinucleoside 5'-polyphosphate an...)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2
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14.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50096295
PNG
(Uridine | Uridine dinucleoside 5'-polyphosphate an...)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2
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18.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50028374
PNG
(CHEMBL278466 | Phosphoric acid mono-[5-(5-chloro-2...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)
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150n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from FdUrd-resistant L1210 cells


J Med Chem 43: 4647-56 (2001)


Article DOI: 10.1021/jm000975u
BindingDB Entry DOI: 10.7270/Q2TT4RPX
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50028374
PNG
(CHEMBL278466 | Phosphoric acid mono-[5-(5-chloro-2...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O
Show InChI InChI=1/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)
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300n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from parenteral L1210 cells


J Med Chem 43: 4647-56 (2001)


Article DOI: 10.1021/jm000975u
BindingDB Entry DOI: 10.7270/Q2TT4RPX
More data for this
Ligand-Target Pair
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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840 -9.12n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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840n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Methanobacterium thermoautotrophicum ODCase at 55 degreeC by competitive binding assay


J Med Chem 49: 4937-45 (2006)


Article DOI: 10.1021/jm060202r
BindingDB Entry DOI: 10.7270/Q2J9676J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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840 -9.12n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 52: 1648-58 (2009)


Article DOI: 10.1021/jm801224t
BindingDB Entry DOI: 10.7270/Q2RR1WJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50023910
PNG
(({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-y...)
Show SMILES OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)
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1.67E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)


Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR
More data for this
Ligand-Target Pair
Orotidine Monophosphate Decarboxylase (ODCase)


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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2.10E+3 -8.05n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50186267
PNG
(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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2.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed 5-BrdUMP dehalogenation by absorbance analysis in absence o...


J Med Chem 20: 1469-73 (1977)


Article DOI: 10.1021/jm00221a021
BindingDB Entry DOI: 10.7270/Q2P55Q1K
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50023910
PNG
(({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-y...)
Show SMILES OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)
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2.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)


Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50028108
PNG
(2'-Deoxyuridinemonophosphate | DEOXYURIDINE MONOPH...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/s2
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thymidylate synthase with variable concentration of dUMP and fixed N5,10-CH2-H4PteGlu (200 uM)


J Med Chem 27: 1710-7 (1985)


Article DOI: 10.1021/jm00378a031
BindingDB Entry DOI: 10.7270/Q2N87BBJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate synthase


(Mus musculus)
BDBM50186267
PNG
(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of purified mouse Ehrlich ascites tumor cell thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate aft...


J Med Chem 20: 669-73 (1977)


Article DOI: 10.1021/jm00215a010
BindingDB Entry DOI: 10.7270/Q2542Q4S
More data for this
Ligand-Target Pair
Thymidylate synthase


(Bos taurus)
BDBM50186267
PNG
(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of purified calf thymus thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate after 7 mins by double r...


J Med Chem 20: 669-73 (1977)


Article DOI: 10.1021/jm00215a010
BindingDB Entry DOI: 10.7270/Q2542Q4S
More data for this
Ligand-Target Pair
Deoxyuridine triphosphatase


(Trypanosoma cruzi)
BDBM50186267
PNG
(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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1.84E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi dUTPase at 1 mM


Bioorg Med Chem Lett 16: 3809-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.027
BindingDB Entry DOI: 10.7270/Q21C1WG4
More data for this
Ligand-Target Pair
Orotidine Monophosphate Decarboxylase (ODCase)


(Plasmodium vivax (malaria parasite P. vivax))
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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2.24E+4n/an/an/an/an/an/a7.5n/a



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
Orotidine Monophosphate Decarboxylase (ODCase)


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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3.41E+4 -6.34n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotate phosphoribosyltransferase (HsOPRT)


(Homo sapiens (Human))
BDBM27943
PNG
(uridine derivative, 39 | {[(2R,3S,4R,5R)-5-(5-fluo...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/s2
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9.80E+4 -5.68n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 52: 1648-58 (2009)


Article DOI: 10.1021/jm801224t
BindingDB Entry DOI: 10.7270/Q2RR1WJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.28E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Mus musculus)
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.28E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for galactosyltransferase inhibition was determined


J Med Chem 30: 1383-91 (1987)


Article DOI: 10.1021/jm00391a020
BindingDB Entry DOI: 10.7270/Q2HX1D8H
More data for this
Ligand-Target Pair
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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1.34E+5 -5.81n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 52: 1648-58 (2009)


Article DOI: 10.1021/jm801224t
BindingDB Entry DOI: 10.7270/Q2RR1WJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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1.34E+5 -5.81n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine Monophosphate Decarboxylase (ODCase)


(Methanobacterium thermoautotrophicum)
BDBM27943
PNG
(uridine derivative, 39 | {[(2R,3S,4R,5R)-5-(5-fluo...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/s2
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6.45E+5 -4.79n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 52: 1648-58 (2009)


Article DOI: 10.1021/jm801224t
BindingDB Entry DOI: 10.7270/Q2RR1WJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CAM-RNase A


(Bison bison (American bison))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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6.47E+5n/an/an/an/an/an/a6.0n/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic ribonuclease A assessed as enzyme activity by spectrophotometric method pH 6


Eur J Med Chem 44: 4496-508 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.039
BindingDB Entry DOI: 10.7270/Q26H4HJJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Seminal ribonuclease


(Bos taurus)
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.05E+6n/an/an/an/an/an/a6.0n/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of bovine seminal ribonuclease assessed as enzyme activity by spectrophotometric method at pH 6


Eur J Med Chem 44: 4496-508 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.039
BindingDB Entry DOI: 10.7270/Q26H4HJJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 18n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 1.65E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 55n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by sc...


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 60n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 90n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 20n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...


Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 86n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Stimulation of phospholipase C in 1321N1 astrocytoma cells transfected with human P2Y6 receptor


J Med Chem 48: 8108-11 (2005)


Article DOI: 10.1021/jm050911p
BindingDB Entry DOI: 10.7270/Q28915FG
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Purinergic receptor P2Y14


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 160n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y14 receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation proximi...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
O-GlcNAc Transferase (OGT)


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human OGT


Bioorg Med Chem Lett 21: 1199-201 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.090
BindingDB Entry DOI: 10.7270/Q2028RT6
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 80n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by sc...


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 1.40E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 88n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 48n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Rattus norvegicus)
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 200n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...


J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 6 (P2Y6)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of human erythrocytes


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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n/an/an/an/a 42n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA


J Med Chem 49: 7076-87 (2006)


Article DOI: 10.1021/jm060848j
BindingDB Entry DOI: 10.7270/Q2SN09RW
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50199178
PNG
(1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA


J Med Chem 49: 7076-87 (2006)


Article DOI: 10.1021/jm060848j
BindingDB Entry DOI: 10.7270/Q2SN09RW
More data for this
Ligand-Target Pair
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