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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM1'   
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, 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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Article
PubMed
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)
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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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Istituto di Genetica Biochimica ed Evoluzionistica

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 thymidine kinase


J Med Chem 35: 4214-20 (1992)


Article DOI: 10.1021/jm00100a029
BindingDB Entry DOI: 10.7270/Q2J67HJP
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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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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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PubMed
n/an/a 26n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
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+
PDB
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KEGG

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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 TK (A167Y) catalyzed [3H]-GCV phosphorylation


J Med Chem 45: 4254-63 (2002)


Article DOI: 10.1021/jm011128+
BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair