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25 similar compounds to monomer 50210801

Compile data set for download or QSAR
Wt: 299.3
BDBM21866
Purchase
Wt: 313.3
BDBM21871
Wt: 271.2
BDBM21872
Purchase
Wt: 285.3
BDBM21873
Wt: 313.3
BDBM21874
Wt: 313.3
BDBM21875
Wt: 313.3
BDBM21876
Wt: 326.3
BDBM21877
Wt: 354.4
BDBM21878
Wt: 340.4
BDBM21879
Wt: 386.4
BDBM21880
Wt: 378.4
BDBM21881
Wt: 366.4
BDBM21882
Wt: 449.5
BDBM21883
Wt: 410.5
BDBM21884
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 21866,21871,21872,21873,21874,21875,21876,21877,21878,21879,21880,21881,21882,21883,21884   
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, cytosolic


(Homo sapiens (Human))
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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50n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards HSV-1 thymidine kinase was determined


J Med Chem 38: 49-57 (1995)


Article DOI: 10.1021/jm00001a010
BindingDB Entry DOI: 10.7270/Q2G44PBM
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 1.15E+4n/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)
BDBM21872
PNG
(2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...)
Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)
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n/an/a 4.40E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21873
PNG
(2,9-disubstituted 6-oxopurine, 7 | 9-(3-hydroxypro...)
Show SMILES OCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C14H15N5O2/c20-8-4-7-19-9-15-11-12(19)17-14(18-13(11)21)16-10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2,(H2,16,17,18,21)
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n/an/a 2.00E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21874
PNG
(2,9-disubstituted 6-oxopurine, 8 | 9-(5-hydroxypen...)
Show SMILES OCCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O2/c22-10-6-2-5-9-21-11-17-13-14(21)19-16(20-15(13)23)18-12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H2,18,19,20,23)
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n/an/a 1.50E+4n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21875
PNG
(2,9-disubstituted 6-oxopurine, 9 | 9-(4-methoxybut...)
Show SMILES COCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O2/c1-23-10-6-5-9-21-11-17-13-14(21)19-16(20-15(13)22)18-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,19,20,22)
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n/an/a 1.20E+4n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21876
PNG
(2,9-disubstituted 6-oxopurine, 10 | 4-[6-oxo-2-(ph...)
Show SMILES OC(=O)CCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H15N5O3/c21-11(22)7-4-8-20-9-16-12-13(20)18-15(19-14(12)23)17-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,21,22)(H2,17,18,19,23)
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n/an/a 1.00E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21877
PNG
(2,9-disubstituted 6-oxopurine, 12a | 9-[4-(dimethy...)
Show SMILES CN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H22N6O/c1-22(2)10-6-7-11-23-12-18-14-15(23)20-17(21-16(14)24)19-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,19,20,21,24)
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n/an/a 3.60E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21878
PNG
(2,9-disubstituted 6-oxopurine, 12b | 9-[4-(diethyl...)
Show SMILES CCN(CC)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C19H26N6O/c1-3-24(4-2)12-8-9-13-25-14-20-16-17(25)22-19(23-18(16)26)21-15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H2,21,22,23,26)
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n/an/a 4.50E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21879
PNG
(2,9-disubstituted 6-oxopurine, 12c | 9-{4-[ethyl(m...)
Show SMILES CCN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C18H24N6O/c1-3-23(2)11-7-8-12-24-13-19-15-16(24)21-18(22-17(15)25)20-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,20,21,22,25)
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n/an/a 4.70E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21880
PNG
(2,9-disubstituted 6-oxopurine, 12d | 9-{4-[bis(2-h...)
Show SMILES OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C19H26N6O3/c26-12-10-24(11-13-27)8-4-5-9-25-14-20-16-17(25)22-19(23-18(16)28)21-15-6-2-1-3-7-15/h1-3,6-7,14,26-27H,4-5,8-13H2,(H2,21,22,23,28)
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n/an/a 5.20E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21881
PNG
(2,9-disubstituted 6-oxopurine, 12e | 9-{4-[bis(pro...)
Show SMILES C=CCN(CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O)CC=C
Show InChI InChI=1S/C21H26N6O/c1-3-12-26(13-4-2)14-8-9-15-27-16-22-18-19(27)24-21(25-20(18)28)23-17-10-6-5-7-11-17/h3-7,10-11,16H,1-2,8-9,12-15H2,(H2,23,24,25,28)
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n/an/a 2.10E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21882
PNG
(2,9-disubstituted 6-oxopurine, 12f | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCCC3)cnc12
Show InChI InChI=1S/C20H26N6O/c27-19-17-18(23-20(24-19)22-16-9-3-1-4-10-16)26(15-21-17)14-8-7-13-25-11-5-2-6-12-25/h1,3-4,9-10,15H,2,5-8,11-14H2,(H2,22,23,24,27)
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n/an/a 1.60E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21883
PNG
(2,9-disubstituted 6-oxopurine, 12g | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)N3CCCCC3)cnc12
Show InChI InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-9-3-1-4-10-20)32(19-26-22)16-8-7-13-30-17-11-21(12-18-30)31-14-5-2-6-15-31/h1,3-4,9-10,19,21H,2,5-8,11-18H2,(H2,27,28,29,33)
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n/an/a 1.65E+4n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21884
PNG
(2,9-disubstituted 6-oxopurine, 12h | 9-{4-[2-(2-hy...)
Show SMILES OCCC1CCCCN1CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H30N6O2/c29-15-11-18-10-4-5-12-27(18)13-6-7-14-28-16-23-19-20(28)25-22(26-21(19)30)24-17-8-2-1-3-9-17/h1-3,8-9,16,18,29H,4-7,10-15H2,(H2,24,25,26,30)
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n/an/a 770n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 500n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21871
PNG
(2,9-disubstituted 6-oxopurine, 5 | 9-(4-hydroxybut...)
Show SMILES CN(c1ccccc1)c1nc2n(CCCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C16H19N5O2/c1-20(12-7-3-2-4-8-12)16-18-14-13(15(23)19-16)17-11-21(14)9-5-6-10-22/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,18,19,23)
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n/an/a 3.70E+4n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21872
PNG
(2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...)
Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21873
PNG
(2,9-disubstituted 6-oxopurine, 7 | 9-(3-hydroxypro...)
Show SMILES OCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C14H15N5O2/c20-8-4-7-19-9-15-11-12(19)17-14(18-13(11)21)16-10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2,(H2,16,17,18,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21874
PNG
(2,9-disubstituted 6-oxopurine, 8 | 9-(5-hydroxypen...)
Show SMILES OCCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O2/c22-10-6-2-5-9-21-11-17-13-14(21)19-16(20-15(13)23)18-12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H2,18,19,20,23)
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n/an/a 5.40E+4n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21875
PNG
(2,9-disubstituted 6-oxopurine, 9 | 9-(4-methoxybut...)
Show SMILES COCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H19N5O2/c1-23-10-6-5-9-21-11-17-13-14(21)19-16(20-15(13)22)18-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,19,20,22)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21876
PNG
(2,9-disubstituted 6-oxopurine, 10 | 4-[6-oxo-2-(ph...)
Show SMILES OC(=O)CCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H15N5O3/c21-11(22)7-4-8-20-9-16-12-13(20)18-15(19-14(12)23)17-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,21,22)(H2,17,18,19,23)
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n/an/a 700n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21877
PNG
(2,9-disubstituted 6-oxopurine, 12a | 9-[4-(dimethy...)
Show SMILES CN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H22N6O/c1-22(2)10-6-7-11-23-12-18-14-15(23)20-17(21-16(14)24)19-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,19,20,21,24)
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n/an/a 620n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21878
PNG
(2,9-disubstituted 6-oxopurine, 12b | 9-[4-(diethyl...)
Show SMILES CCN(CC)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C19H26N6O/c1-3-24(4-2)12-8-9-13-25-14-20-16-17(25)22-19(23-18(16)26)21-15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H2,21,22,23,26)
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n/an/a 230n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21879
PNG
(2,9-disubstituted 6-oxopurine, 12c | 9-{4-[ethyl(m...)
Show SMILES CCN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C18H24N6O/c1-3-23(2)11-7-8-12-24-13-19-15-16(24)21-18(22-17(15)25)20-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,20,21,22,25)
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n/an/a 380n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21880
PNG
(2,9-disubstituted 6-oxopurine, 12d | 9-{4-[bis(2-h...)
Show SMILES OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C19H26N6O3/c26-12-10-24(11-13-27)8-4-5-9-25-14-20-16-17(25)22-19(23-18(16)28)21-15-6-2-1-3-7-15/h1-3,6-7,14,26-27H,4-5,8-13H2,(H2,21,22,23,28)
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n/an/a 340n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21881
PNG
(2,9-disubstituted 6-oxopurine, 12e | 9-{4-[bis(pro...)
Show SMILES C=CCN(CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O)CC=C
Show InChI InChI=1S/C21H26N6O/c1-3-12-26(13-4-2)14-8-9-15-27-16-22-18-19(27)24-21(25-20(18)28)23-17-10-6-5-7-11-17/h3-7,10-11,16H,1-2,8-9,12-15H2,(H2,23,24,25,28)
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n/an/a 420n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21882
PNG
(2,9-disubstituted 6-oxopurine, 12f | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCCC3)cnc12
Show InChI InChI=1S/C20H26N6O/c27-19-17-18(23-20(24-19)22-16-9-3-1-4-10-16)26(15-21-17)14-8-7-13-25-11-5-2-6-12-25/h1,3-4,9-10,15H,2,5-8,11-14H2,(H2,22,23,24,27)
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n/an/a 220n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21883
PNG
(2,9-disubstituted 6-oxopurine, 12g | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)N3CCCCC3)cnc12
Show InChI InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-9-3-1-4-10-20)32(19-26-22)16-8-7-13-30-17-11-21(12-18-30)31-14-5-2-6-15-31/h1,3-4,9-10,19,21H,2,5-8,11-18H2,(H2,27,28,29,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21884
PNG
(2,9-disubstituted 6-oxopurine, 12h | 9-{4-[2-(2-hy...)
Show SMILES OCCC1CCCCN1CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H30N6O2/c29-15-11-18-10-4-5-12-27(18)13-6-7-14-28-16-23-19-20(28)25-22(26-21(19)30)24-17-8-2-1-3-9-17/h1-3,8-9,16,18,29H,4-7,10-15H2,(H2,24,25,26,30)
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n/an/a 65n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 160n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 thymidine kinase, 1 microM [3H]-thymidine and ATP as phosphate donor


J Med Chem 38: 49-57 (1995)


Article DOI: 10.1021/jm00001a010
BindingDB Entry DOI: 10.7270/Q2G44PBM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine kinase


(Human herpesvirus 1)
BDBM21872
PNG
(2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...)
Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 thymidine kinase, 1 microM [3H]-thymidine and ATP as phosphate donor


J Med Chem 38: 49-57 (1995)


Article DOI: 10.1021/jm00001a010
BindingDB Entry DOI: 10.7270/Q2G44PBM
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21872
PNG
(2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...)
Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of HSV-2 thymidine kinase, 2 microM [3H]-thymidine and ATP as phosphate donor


J Med Chem 38: 49-57 (1995)


Article DOI: 10.1021/jm00001a010
BindingDB Entry DOI: 10.7270/Q2G44PBM
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 2.15E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of HSV-2 thymidine kinase, 2 microM [3H]-thymidine and ATP as phosphate donor


J Med Chem 38: 49-57 (1995)


Article DOI: 10.1021/jm00001a010
BindingDB Entry DOI: 10.7270/Q2G44PBM
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)
BDBM21877
PNG
(2,9-disubstituted 6-oxopurine, 12a | 9-[4-(dimethy...)
Show SMILES CN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H22N6O/c1-22(2)10-6-7-11-23-12-18-14-15(23)20-17(21-16(14)24)19-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,19,20,21,24)
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n/an/a 1.20E+3n/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)
BDBM21866
PNG
(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Show SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
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n/an/a 1.30E+3n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine kinase


(Human herpesvirus 1)
BDBM21871
PNG
(2,9-disubstituted 6-oxopurine, 5 | 9-(4-hydroxybut...)
Show SMILES CN(c1ccccc1)c1nc2n(CCCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C16H19N5O2/c1-20(12-7-3-2-4-8-12)16-18-14-13(15(23)19-16)17-11-21(14)9-5-6-10-22/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,18,19,23)
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n/an/a 1.60E+4n/an/an/an/a7.537



GLSynthesis Inc.



Assay Description
Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...


J Med Chem 48: 3919-29 (2005)


Article DOI: 10.1021/jm049059x
BindingDB Entry DOI: 10.7270/Q2D21VWD
More data for this
Ligand-Target Pair