BindingDB logo
myBDB logout

PubMed code 8941385

Compile data set for download or QSAR
Found 18 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


(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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
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

UniProtKB/SwissProt

GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054779
PNG
(5-Furan-3-yl-1-(4-hydroxy-5-hydroxymethyl-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccoc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O6/c16-5-10-9(17)3-11(21-10)15-4-8(7-1-2-20-6-7)12(18)14-13(15)19/h1-2,4,6,9-11,16-17H,3,5H2,(H,14,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054766
PNG
(5-(5-Chloro-thiophen-2-yl)-1-(4-hydroxy-5-hydroxym...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccc(Cl)s2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13ClN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054780
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES Cc1ccc(s1)-c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O5S/c1-7-2-3-11(22-7)8-5-16(14(20)15-13(8)19)12-4-9(18)10(6-17)21-12/h2-3,5,9-10,12,17-18H,4,6H2,1H3,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50407986
PNG
(CHEMBL1791149)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2cccs2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O5S/c16-6-9-8(17)4-11(20-9)15-5-7(10-2-1-3-21-10)12(18)14-13(15)19/h1-3,5,8-9,11,16-17H,4,6H2,(H,14,18,19)/t8-,9+,11+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054772
PNG
(5-Furan-2-yl-1-(4-hydroxy-5-hydroxymethyl-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O6/c16-6-10-8(17)4-11(21-10)15-5-7(9-2-1-3-20-9)12(18)14-13(15)19/h1-3,5,8,10-11,16-17H,4,6H2,(H,14,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054778
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccns2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H13N3O5S/c16-5-8-7(17)3-10(20-8)15-4-6(9-1-2-13-21-9)11(18)14-12(15)19/h1-2,4,7-8,10,16-17H,3,5H2,(H,14,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054768
PNG
(5-(5-Bromo-thiophen-2-yl)-1-(4-hydroxy-5-hydroxyme...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccc(Br)s2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054774
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccsc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O5S/c16-5-10-9(17)3-11(20-10)15-4-8(7-1-2-21-6-7)12(18)14-13(15)19/h1-2,4,6,9-11,16-17H,3,5H2,(H,14,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054777
PNG
(5-(5-Chloro-furan-2-yl)-1-(4-hydroxy-5-hydroxymeth...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccc(Cl)o2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13ClN2O6/c14-10-2-1-8(21-10)6-4-16(13(20)15-12(6)19)11-3-7(18)9(5-17)22-11/h1-2,4,7,9,11,17-18H,3,5H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054770
PNG
(5-(3-Bromo-isoxazol-5-yl)-1-(4-hydroxy-5-hydroxyme...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2cc(Br)no2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H12BrN3O6/c13-9-2-7(22-15-9)5-3-16(12(20)14-11(5)19)10-1-6(18)8(4-17)21-10/h2-3,6,8,10,17-18H,1,4H2,(H,14,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054776
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccno2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H13N3O6/c16-5-9-7(17)3-10(20-9)15-4-6(8-1-2-13-21-8)11(18)14-12(15)19/h1-2,4,7,9-10,16-17H,3,5H2,(H,14,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054767
PNG
(5-(5-Bromo-furan-2-yl)-1-(4-hydroxy-5-hydroxymethy...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccc(Br)o2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13BrN2O6/c14-10-2-1-8(21-10)6-4-16(13(20)15-12(6)19)11-3-7(18)9(5-17)22-11/h1-2,4,7,9,11,17-18H,3,5H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054769
PNG
(5-(3-Bromo-thiophen-2-yl)-1-(4-hydroxy-5-hydroxyme...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2sccc2Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13BrN2O5S/c14-7-1-2-22-11(7)6-4-16(13(20)15-12(6)19)10-3-8(18)9(5-17)21-10/h1-2,4,8-10,17-18H,3,5H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054775
PNG
(5-(3,5-Dibromo-thiophen-2-yl)-1-(4-hydroxy-5-hydro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2sc(Br)cc2Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H12Br2N2O5S/c14-6-1-9(15)23-11(6)5-3-17(13(21)16-12(5)20)10-2-7(19)8(4-18)22-10/h1,3,7-8,10,18-19H,2,4H2,(H,16,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054773
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16N2O5/c18-8-12-11(19)6-13(22-12)17-7-10(14(20)16-15(17)21)9-4-2-1-3-5-9/h1-5,7,11-13,18-19H,6,8H2,(H,16,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50054771
PNG
(5-(4-Bromo-thiophen-3-yl)-1-(4-hydroxy-5-hydroxyme...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2cscc2Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13BrN2O5S/c14-8-5-22-4-7(8)6-2-16(13(20)15-12(6)19)11-1-9(18)10(3-17)21-11/h2,4-5,9-11,17-18H,1,3H2,(H,15,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+5n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase


J Med Chem 39: 4727-37 (1997)


Article DOI: 10.1021/jm960278v
BindingDB Entry DOI: 10.7270/Q2M61KXS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%