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Compile Data Set for Download or QSAR

Found 784 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine kinase


(Human herpesvirus 1)
BDBM21885
PNG
(2,9-disubstituted 6-oxopurine, 12i | 9-[4-(decahyd...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12
Show InChI InChI=1S/C24H32N6O/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29/h1-3,11-12,17-18,20H,4-10,13-16H2,(H2,26,27,28,31)
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PubMed
30 -44.7 150n/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)
BDBM21895
PNG
(2,9-disubstituted 6-oxopurine, 12s | 9-(4-{4-[4-ch...)
Show SMILES OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H28ClF3N6O2/c28-21-9-8-18(16-20(21)27(29,30)31)26(39)10-14-36(15-11-26)12-4-5-13-37-17-32-22-23(37)34-25(35-24(22)38)33-19-6-2-1-3-7-19/h1-3,6-9,16-17,39H,4-5,10-15H2,(H2,33,34,35,38)
PDB
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
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)
BDBM21869
PNG
(2,9-disubstituted 6-oxopurine, 3 | 9-(4-hydroxybut...)
Show SMILES OCCCCn1cnc2c1nc(Sc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H16N4O2S/c20-9-5-4-8-19-10-16-12-13(19)17-15(18-14(12)21)22-11-6-2-1-3-7-11/h1-3,6-7,10,20H,4-5,8-9H2,(H,17,18,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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)
BDBM21870
PNG
(2,9-disubstituted 6-oxopurine, 4 | 9-(4-hydroxybut...)
Show SMILES OCCCCn1cnc2c1nc(Oc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C15H16N4O3/c20-9-5-4-8-19-10-16-12-13(19)17-15(18-14(12)21)22-11-6-2-1-3-7-11/h1-3,6-7,10,20H,4-5,8-9H2,(H,17,18,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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UniChem

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Article
PubMed
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
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)
PDB
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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
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UniChem

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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
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PC cid
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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem

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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem

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Article
PubMed
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
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 1)
BDBM21886
PNG
(2,9-disubstituted 6-oxopurine, 12j | 9-[4-(3,5-dim...)
Show SMILES CC1CN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC(C)N1
Show InChI InChI=1S/C21H29N7O/c1-15-12-27(13-16(2)23-15)10-6-7-11-28-14-22-18-19(28)25-21(26-20(18)29)24-17-8-4-3-5-9-17/h3-5,8-9,14-16,23H,6-7,10-13H2,1-2H3,(H2,24,25,26,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+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)
BDBM21887
PNG
(2,9-disubstituted 6-oxopurine, 12k | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCc4ccccc34)cnc12
Show InChI InChI=1S/C24H26N6O/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29/h1-5,9,11-13,17H,6-8,10,14-16H2,(H2,26,27,28,31)
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/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)
BDBM21888
PNG
(2,9-disubstituted 6-oxopurine, 12l | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC3CN3CCCCC3)cnc12
Show InChI InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-10-3-1-4-11-20)32(19-26-22)16-8-7-15-31-17-9-12-21(31)18-30-13-5-2-6-14-30/h1,3-4,10-11,19,21H,2,5-9,12-18H2,(H2,27,28,29,33)
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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)
BDBM21889
PNG
(2,9-disubstituted 6-oxopurine, 12m | 9-[4-(4-hydro...)
Show SMILES OC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1
Show InChI InChI=1S/C20H26N6O2/c27-16-8-12-25(13-9-16)10-4-5-11-26-14-21-17-18(26)23-20(24-19(17)28)22-15-6-2-1-3-7-15/h1-3,6-7,14,16,27H,4-5,8-13H2,(H2,22,23,24,28)
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n/an/a 8.20E+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)
BDBM21890
PNG
(2,9-disubstituted 6-oxopurine, 12n | 9-[4-(3-hydro...)
Show SMILES OC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1
Show InChI InChI=1S/C20H26N6O2/c27-16-9-6-11-25(13-16)10-4-5-12-26-14-21-17-18(26)23-20(24-19(17)28)22-15-7-2-1-3-8-15/h1-3,7-8,14,16,27H,4-6,9-13H2,(H2,22,23,24,28)
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n/an/a 5.70E+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)
BDBM21891
PNG
(2,9-disubstituted 6-oxopurine, 12o | 9-[4-(4-metho...)
Show SMILES COC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1
Show InChI InChI=1S/C21H28N6O2/c1-29-17-9-13-26(14-10-17)11-5-6-12-27-15-22-18-19(27)24-21(25-20(18)28)23-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H2,23,24,25,28)
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n/an/a 2.30E+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
Thymidine kinase


(Human herpesvirus 1)
BDBM21892
PNG
(2,9-disubstituted 6-oxopurine, 12p | 9-[4-(3-metho...)
Show SMILES COC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1
Show InChI InChI=1S/C21H28N6O2/c1-29-17-10-7-12-26(14-17)11-5-6-13-27-15-22-18-19(27)24-21(25-20(18)28)23-16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H2,23,24,25,28)
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n/an/a 2.50E+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)
BDBM21893
PNG
(2,9-disubstituted 6-oxopurine, 12q | 2-(phenylamin...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCCC3c3ccccc3)cnc12
Show InChI InChI=1S/C26H30N6O/c33-25-23-24(29-26(30-25)28-21-13-5-2-6-14-21)32(19-27-23)18-10-9-17-31-16-8-7-15-22(31)20-11-3-1-4-12-20/h1-6,11-14,19,22H,7-10,15-18H2,(H2,28,29,30,33)
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n/an/a 550n/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)
BDBM21894
PNG
(1-{4-[6-oxo-2-(phenylamino)-6,9-dihydro-3H-purin-9...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12
Show InChI InChI=1S/C27H29N7O/c28-19-27(21-9-3-1-4-10-21)13-17-33(18-14-27)15-7-8-16-34-20-29-23-24(34)31-26(32-25(23)35)30-22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-18H2,(H2,30,31,32,35)
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n/an/a 410n/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)
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)
BDBM21868
PNG
(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)
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n/an/a 6.00E+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 2)
BDBM21885
PNG
(2,9-disubstituted 6-oxopurine, 12i | 9-[4-(decahyd...)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12
Show InChI InChI=1S/C24H32N6O/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29/h1-3,11-12,17-18,20H,4-10,13-16H2,(H2,26,27,28,31)
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5n/a 13n/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, mitochondrial


(Homo sapiens)
BDBM50314845
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17BrClN5O4/c20-6-5-12-8-25(19(29)22-18(12)28)17-7-15(16(10-27)30-17)26-9-14(23-24-26)11-1-3-13(21)4-2-11/h1-6,8-9,15-17,27H,7,10H2,(H,22,28,29)/t15-,16+,17+/m0/s1
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12n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant mitochondrial thymidine kinase 2 using ATP as substrate by Lineweaver-Burk plotting


J Med Chem 53: 2902-12 (2010)


Article DOI: 10.1021/jm901532h
BindingDB Entry DOI: 10.7270/Q26D5T47
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
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, cytosolic


(Homo sapiens)
BDBM50370388
PNG
(5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was measured against Thymidine kinase


J Med Chem 28: 904-10 (1985)


Article DOI: 10.1021/jm00145a010
BindingDB Entry DOI: 10.7270/Q2HD7W7Z
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50370388
PNG
(5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


J Med Chem 46: 5045-54 (2003)


Article DOI: 10.1021/jm030241s
BindingDB Entry DOI: 10.7270/Q2BR8SXZ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367489
PNG
(CHEMBL1269499)
Show SMILES CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50370388
PNG
(5IUDR | Allergan 211 | Allergan-211 | Dendrid | He...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was measured against Thymidine kinase


J Med Chem 28: 904-10 (1985)


Article DOI: 10.1021/jm00145a010
BindingDB Entry DOI: 10.7270/Q2HD7W7Z
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50366681
PNG
(BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
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100n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


J Med Chem 46: 5045-54 (2003)


Article DOI: 10.1021/jm030241s
BindingDB Entry DOI: 10.7270/Q2BR8SXZ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367488
PNG
(FIALURIDINE)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314848
PNG
(3'-hexanoylamino-3'-deoxythymidine | CHEMBL1089836)
Show SMILES CCCCCC(=O)N[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H25N3O5/c1-3-4-5-6-13(21)17-11-7-14(24-12(11)9-20)19-8-10(2)15(22)18-16(19)23/h8,11-12,14,20H,3-7,9H2,1-2H3,(H,17,21)(H,18,22,23)/t11-,12+,14+/m0/s1
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150n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2


J Med Chem 53: 2902-12 (2010)


Article DOI: 10.1021/jm901532h
BindingDB Entry DOI: 10.7270/Q26D5T47
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367487
PNG
(CHEMBL475717)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM1
PNG
(BDBM233149 | thymidine)
Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


J Med Chem 46: 5045-54 (2003)


Article DOI: 10.1021/jm030241s
BindingDB Entry DOI: 10.7270/Q2BR8SXZ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50422566
PNG
(CHEMBL2311131)
Show SMILES OC[C@H]1C[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13IN2O4/c11-7-3-13(10(17)12-9(7)16)6-1-5(4-14)8(15)2-6/h3,5-6,8,14-15H,1-2,4H2,(H,12,16,17)/t5-,6-,8+/m1/s1
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210n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


J Med Chem 46: 5045-54 (2003)


Article DOI: 10.1021/jm030241s
BindingDB Entry DOI: 10.7270/Q2BR8SXZ
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50135089
PNG
(C-BVdU | CHEMBL341644)
Show SMILES OC[C@@H]1C[C@@H](C[C@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/t8-,9-,10+/m0/s1
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220n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity constant against HSV-1 thymidine kinase


J Med Chem 46: 5045-54 (2003)


Article DOI: 10.1021/jm030241s
BindingDB Entry DOI: 10.7270/Q2BR8SXZ
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50366681
PNG
(BRIVUDINE | BVDU | Bridic | Brivox | Brivudin | Br...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
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240n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes simplex virus 1 recombinant thymidine kinase


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, mitochondrial


(Homo sapiens)
BDBM50200995
PNG
(1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)
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290n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1)
BDBM50123605
PNG
(CHEMBL3143935)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O
Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2


J Med Chem 33: 203-6 (1990)


Article DOI: 10.1021/jm00163a033
BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50314845
PNG
(3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17BrClN5O4/c20-6-5-12-8-25(19(29)22-18(12)28)17-7-15(16(10-27)30-17)26-9-14(23-24-26)11-1-3-13(21)4-2-11/h1-6,8-9,15-17,27H,7,10H2,(H,22,28,29)/t15-,16+,17+/m0/s1
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410n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant mitochondrial thymidine kinase 2 using thymidine as substrate by Lineweaver-Burk plotting


J Med Chem 53: 2902-12 (2010)


Article DOI: 10.1021/jm901532h
BindingDB Entry DOI: 10.7270/Q26D5T47
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50367489
PNG
(CHEMBL1269499)
Show SMILES CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
BDBM50118490
PNG
(1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-
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500n/an/an/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50123605
PNG
(CHEMBL3143935)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O
Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1
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700n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 2


J Med Chem 33: 203-6 (1990)


Article DOI: 10.1021/jm00163a033
BindingDB Entry DOI: 10.7270/Q2B8573M
More data for this
Ligand-Target Pair
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