BindingDB logo
myBDB logout

PubMed code 17622128

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217798
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[2-(pe...)
Show SMILES CCCC#Cc1ccc(cn1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H21N3O5/c1-2-3-4-5-15-7-6-13(10-22-15)17-8-14-11-24(21(27)23-20(14)29-17)19-9-16(26)18(12-25)28-19/h6-8,10-11,16,18-19,25-26H,2-3,9,12H2,1H3/t16-,18+,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217802
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(4-hex...)
Show SMILES CCCCCCc1ccc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C22H27N3O5/c1-2-3-4-5-6-14-7-8-16(23-11-14)18-9-15-12-25(22(28)24-21(15)30-18)20-10-17(27)19(13-26)29-20/h7-9,11-12,17,19-20,26-27H,2-6,10,13H2,1H3/t17-,19+,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217799
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-(5-pentylpy...)
Show SMILES CCCCCc1ccc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H25N3O5/c1-2-3-4-5-13-6-7-15(22-10-13)17-8-14-11-24(21(27)23-20(14)29-17)19-9-16(26)18(12-25)28-19/h6-8,10-11,16,18-19,25-26H,2-5,9,12H2,1H3/t16-,18+,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217806
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-(2-hexylpyr...)
Show SMILES CCCCCCc1cnc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H26N4O5/c1-2-3-4-5-6-13-9-22-19(23-10-13)16-7-14-11-25(21(28)24-20(14)30-16)18-8-15(27)17(12-26)29-18/h7,9-11,15,17-18,26-27H,2-6,8,12H2,1H3/t15-,17+,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217797
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(2-pen...)
Show SMILES CCCCCc1ccc(cn1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H25N3O5/c1-2-3-4-5-15-7-6-13(10-22-15)17-8-14-11-24(21(27)23-20(14)29-17)19-9-16(26)18(12-25)28-19/h6-8,10-11,16,18-19,25-26H,2-5,9,12H2,1H3/t16-,18+,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217810
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(5-pen...)
Show SMILES CCCCCc1cnc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C20H24N4O5/c1-2-3-4-5-12-8-21-18(22-9-12)15-6-13-10-24(20(27)23-19(13)29-15)17-7-14(26)16(11-25)28-17/h6,8-10,14,16-17,25-26H,2-5,7,11H2,1H3/t14-,16+,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217804
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-(2-hexylpyr...)
Show SMILES CCCCCCc1ccc(cn1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C22H27N3O5/c1-2-3-4-5-6-16-8-7-14(11-23-16)18-9-15-12-25(22(28)24-21(15)30-18)20-10-17(27)19(13-26)29-20/h7-9,11-12,17,19-20,26-27H,2-6,10,13H2,1H3/t17-,19+,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217809
PNG
(6-(5-butylpyrid-2-yl)-3-(2-deoxy-beta-D-erythro-pe...)
Show SMILES CCCCc1ccc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C20H23N3O5/c1-2-3-4-12-5-6-14(21-9-12)16-7-13-10-23(20(26)22-19(13)28-16)18-8-15(25)17(11-24)27-18/h5-7,9-10,15,17-18,24-25H,2-4,8,11H2,1H3/t15-,17+,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217807
PNG
((E)-6-(dec-1-en-1-yl)-3-(2-deoxy-beta-D-erythro-pe...)
Show SMILES CCCCCCCC\C=C\c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H30N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h9-11,13,17-19,24-25H,2-8,12,14H2,1H3/b10-9+/t17-,18+,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50180316
PNG
(3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-decyn-...)
Show SMILES CCCCCCCCC#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H28N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h11,13,17-19,24-25H,2-8,12,14H2,1H3/t17-,18+,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.17E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217795
PNG
(3-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-(pheny...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H16N2O5/c22-11-16-15(23)9-17(26-16)21-10-13-8-14(25-18(13)20-19(21)24)7-6-12-4-2-1-3-5-12/h1-5,8,10,15-17,22-23H,9,11H2/t15-,16+,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.93E+5n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217796
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-[2-(4-propy...)
Show SMILES CCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1
Show InChI InChI=1S/C22H26N2O5/c1-2-3-14-4-6-15(7-5-14)8-9-17-10-16-12-24(22(27)23-21(16)28-17)20-11-18(26)19(13-25)29-20/h4-7,10,12,18-20,25-26H,2-3,8-9,11,13H2,1H3/t18-,19+,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217803
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-[(4-methylp...)
Show SMILES Cc1ccc(cc1)C#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C20H18N2O5/c1-12-2-4-13(5-3-12)6-7-15-8-14-10-22(20(25)21-19(14)26-15)18-9-16(24)17(11-23)27-18/h2-5,8,10,16-18,23-24H,9,11H2,1H3/t16-,17+,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%