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25 similar compounds to monomer 50310540

Compile data set for download or QSAR
Wt: 339.1
BDBM21338
Wt: 305.1
BDBM31909
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Wt: 305.1
BDBM31910
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Wt: 323.1
BDBM31913
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Wt: 243.2
BDBM50087289
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Wt: 321.1
BDBM50094610
Wt: 403.1
BDBM50194153
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Wt: 323.1
BDBM50233301
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Wt: 773.3
BDBM50270553
Wt: 323.1
BDBM50298711
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Wt: 447.2
BDBM50319141
Wt: 513.1
BDBM50319143
Wt: 475.2
BDBM50319126
Wt: 433.2
BDBM50319129
Wt: 768.4
BDBM50319130
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 21338,31909,31910,31913,50087289,50094610,50194153,50233301,50270553,50298711,50319141,50319143,50319126,50319129,50319130   
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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50194153
PNG
(5'-CDP | CDP | CHEMBL425252 | Cytidine | Cytidine ...)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)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)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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16n/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))
BDBM50194153
PNG
(5'-CDP | CDP | CHEMBL425252 | Cytidine | Cytidine ...)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)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)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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18n/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)
BDBM50194153
PNG
(5'-CDP | CDP | CHEMBL425252 | Cytidine | Cytidine ...)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)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)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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24.5n/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
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)
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)
Thymidylate synthase


(Mus musculus)
BDBM50094610
PNG
(1-(beta--D-2-Deoxyribofuranosyl)-4-hydroxyaminopyr...)
Show SMILES ONc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1
Show InChI InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/p-2/t5-,6+,8+/m0/s1
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1.70E+3n/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)


(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)
CAM-RNase A


(Bison bison (American bison))
BDBM50298711
PNG
((2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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7.00E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric assay


Bioorg Med Chem 17: 4921-7 (2009)


Article DOI: 10.1016/j.bmc.2009.06.002
BindingDB Entry DOI: 10.7270/Q2XW4JV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate synthase


(Mus musculus)
BDBM50094610
PNG
(1-(beta--D-2-Deoxyribofuranosyl)-4-hydroxyaminopyr...)
Show SMILES ONc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)n1
Show InChI InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/p-2/t5-,6+,8+/m0/s1
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9.30E+3n/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
CAM-RNase A


(Bison bison (American bison))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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2.01E+4n/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 (crystal)
Seminal ribonuclease


(Bos taurus)
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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2.79E+4n/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 (crystal)
CAM-RNase A


(Bison bison (American bison))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric assay


Bioorg Med Chem 17: 4921-7 (2009)


Article DOI: 10.1016/j.bmc.2009.06.002
BindingDB Entry DOI: 10.7270/Q2XW4JV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CAM-RNase A


(Bison bison (American bison))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RNAse A


(Homo sapiens (Human))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/s2
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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1.90E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


Article DOI: 10.1021/jm00112a040
BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)


(Escherichia coli (strain K12))
BDBM31909
PNG
(Cytidine 2,3-cyclic phosphate, 6)
Show SMILES Nc1ccn([C@H]2O[C@@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1
Show InChI InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6+,7+,8-/s2
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n/an/an/a 2.05E+7n/an/an/a7.010



University of Dundee



Assay Description
An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...


J Med Chem 52: 2531-42 (2009)


Article DOI: 10.1021/jm801475n
BindingDB Entry DOI: 10.7270/Q23B5XGB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)


(Escherichia coli (strain K12))
BDBM31910
PNG
(Cyclic CMP, 7)
Show SMILES Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1
Show InChI InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/s2
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n/an/an/a 9.00E+5n/an/an/a7.010



University of Dundee



Assay Description
An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...


J Med Chem 52: 2531-42 (2009)


Article DOI: 10.1021/jm801475n
BindingDB Entry DOI: 10.7270/Q23B5XGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)


(Escherichia coli (strain K12))
BDBM31913
PNG
(1-beta-D-arabinofuranosylcytosine 5-monophosphate ...)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
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n/an/an/a 1.89E+7n/an/an/a7.010



University of Dundee



Assay Description
An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...


J Med Chem 52: 2531-42 (2009)


Article DOI: 10.1021/jm801475n
BindingDB Entry DOI: 10.7270/Q23B5XGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a 7.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.009
BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Rhizopus chinensis pepsin using fluorescence assay


Bioorg Med Chem Lett 11: 1329-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00207-4
BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50319130
PNG
(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(methoxyim...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(NOC)nc3=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/s2
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n/an/an/an/a 2.12E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 P2Y2


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 50n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 P2Y2


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/s2
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n/an/an/an/a 3.51E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 P2Y2


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/s2
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n/an/an/an/a 280n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 P2Y2


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 3.60E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 P2Y2


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 28n/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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/s2
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n/an/an/an/a 6.23E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 6.45E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/s2
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n/an/an/an/a 3.51E+3n/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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 3.60E+3n/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))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 3.32E+3n/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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319130
PNG
(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(methoxyim...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(NOC)nc3=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/s2
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n/an/an/an/a 560n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/s2
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n/an/an/an/a 180n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 80n/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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 50n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/s2
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n/an/an/an/a 280n/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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319130
PNG
(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(methoxyim...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(NOC)nc3=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/s2
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n/an/an/an/a 63n/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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 25n/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))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/s2
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n/an/an/an/a 130n/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
Thymidine kinase, mitochondrial


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitochondrial thymidine kinase (TK-2)


Bioorg Med Chem Lett 11: 1329-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00207-4
BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a 5.32E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)


Bioorg Med Chem Lett 11: 1329-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00207-4
BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)


Bioorg Med Chem Lett 11: 1329-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00207-4
BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytosolic thymidine kinase (TK-1)


Bioorg Med Chem Lett 11: 1329-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00207-4
BindingDB Entry DOI: 10.7270/Q27W6CRF
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a 5.32E+6n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Show InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/s2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK1 assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
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