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30 similar compounds to monomer 50018445

Compile data set for download or QSAR
Wt: 253.2
BDBM50000967
Wt: 257.2
BDBM50000968
Wt: 312.3
BDBM50000969
Wt: 266.2
BDBM50094281
Wt: 281.2
BDBM50131908
Wt: 255.2
BDBM50131909
Wt: 256.2
BDBM50131913
Wt: 258.2
BDBM50131915
Wt: 270.2
BDBM50131917
Wt: 244.2
BDBM50132287
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Wt: 258.2
BDBM50132291
Purchase
Wt: 256.2
BDBM50132292
Purchase
Wt: 241.2
BDBM50132294
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Wt: 241.2
BDBM50132297
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Wt: 281.2
BDBM50156571
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50000967,50000968,50000969,50094281,50131908,50131909,50131913,50131915,50131917,50132287,50132291,50132292,50132294,50132297,50156571   
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
Thymidine kinase


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132287
PNG
(1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50156571
PNG
(1-[3-(azidomethyl)-2,3-dideoxy-alpha-D-erythro-pen...)
Show SMILES Cc1cn([C@@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9+/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay


J Med Chem 47: 6187-94 (2004)


Article DOI: 10.1021/jm040847w
BindingDB Entry DOI: 10.7270/Q24M95B1
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50000969
PNG
(CHEMBL3143490)
Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131908
PNG
(1-(4-Azidomethyl-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9-/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131913
PNG
(1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
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4.10E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131915
PNG
(1-(4-Fluoromethyl-5-hydroxymethyl-tetrahydro-furan...)
Show SMILES Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay


J Med Chem 47: 6187-94 (2004)


Article DOI: 10.1021/jm040847w
BindingDB Entry DOI: 10.7270/Q24M95B1
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000969
PNG
(CHEMBL3143490)
Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131917
PNG
(1-[4-(2-Hydroxy-ethyl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@H](CCO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-7-5-14(12(18)13-11(7)17)10-4-8(2-3-15)9(6-16)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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1.56E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Homo sapiens (Human))
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human TMPK by coupled spectrophotometric assay


J Med Chem 47: 6187-94 (2004)


Article DOI: 10.1021/jm040847w
BindingDB Entry DOI: 10.7270/Q24M95B1
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000967
PNG
(CHEMBL373885)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H11N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1,4H2,(H,12,16,17)/t6-,7+,8+/m0/s1
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2.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131909
PNG
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.30E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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2.38E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131913
PNG
(1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131915
PNG
(1-(4-Fluoromethyl-5-hydroxymethyl-tetrahydro-furan...)
Show SMILES Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
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9.70E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131908
PNG
(1-(4-Azidomethyl-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9-/m1/s1
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1.04E+6n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50000969
PNG
(CHEMBL3143490)
Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
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1.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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1.14E+6n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000968
PNG
(CHEMBL1790059)
Show SMILES NCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1-2,4,11H2,(H,12,16,17)/t6-,7+,8+/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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4.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094281
PNG
(1-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@](CO)(O2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N2O5/c1-3-12(6-15)8(16)4-9(19-12)14-5-7(2)10(17)13-11(14)18/h1,5,8-9,15-16H,4,6H2,2H3,(H,13,17,18)/t8-,9-,12-/m1/s1
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n/an/an/an/a 610n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay


J Med Chem 43: 4516-25 (2000)


Article DOI: 10.1021/jm000209n
BindingDB Entry DOI: 10.7270/Q2GM881Z
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation


Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.40E+4n/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, mitochondrial


(Homo sapiens (Human))
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.85E+5n/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
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 6.50E+4n/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, cytosolic


(Homo sapiens (Human))
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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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
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 1.70E+4n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094281
PNG
(1-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@](CO)(O2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N2O5/c1-3-12(6-15)8(16)4-9(19-12)14-5-7(2)10(17)13-11(14)18/h1,5,8-9,15-16H,4,6H2,2H3,(H,13,17,18)/t8-,9-,12-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 MDR using MAGI assay


J Med Chem 43: 4516-25 (2000)


Article DOI: 10.1021/jm000209n
BindingDB Entry DOI: 10.7270/Q2GM881Z
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 1.70E+4n/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))
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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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
Thymidine kinase, mitochondrial


(Homo sapiens (Human))
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.85E+5n/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)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 6.50E+4n/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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50132291
PNG
(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-t...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
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n/an/a 2.40E+4n/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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a 7.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50132287
PNG
(1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3369-72 (1992)


Article DOI: 10.1021/jm00096a011
BindingDB Entry DOI: 10.7270/Q2N58N04
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a>1.18E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a>1.19E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair