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SMILES: OC[C@H]1O[C@H]([C@@H](OC(=O)Cc2ccccc2)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O

InChI Key: InChIKey=FMVGLLPOZGDPTQ-NYCLONFESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50206508   
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


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50206508
PNG
(1-(2'-O-phenylacetyl-beta-D-arabinofuranosyl)-5(E)...)
Show SMILES OC[C@H]1O[C@H]([C@@H](OC(=O)Cc2ccccc2)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:22.24|
Show InChI InChI=1S/C19H19BrN2O7/c20-7-6-12-9-22(19(27)21-17(12)26)18-16(15(25)13(10-23)28-18)29-14(24)8-11-4-2-1-3-5-11/h1-7,9,13,15-16,18,23,25H,8,10H2,(H,21,26,27)/t13-,15-,16+,18-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50206508
PNG
(1-(2'-O-phenylacetyl-beta-D-arabinofuranosyl)-5(E)...)
Show SMILES OC[C@H]1O[C@H]([C@@H](OC(=O)Cc2ccccc2)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:22.24|
Show InChI InChI=1S/C19H19BrN2O7/c20-7-6-12-9-22(19(27)21-17(12)26)18-16(15(25)13(10-23)28-18)29-14(24)8-11-4-2-1-3-5-11/h1-7,9,13,15-16,18,23,25H,8,10H2,(H,21,26,27)/t13-,15-,16+,18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.47E+5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50206508
PNG
(1-(2'-O-phenylacetyl-beta-D-arabinofuranosyl)-5(E)...)
Show SMILES OC[C@H]1O[C@H]([C@@H](OC(=O)Cc2ccccc2)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:22.24|
Show InChI InChI=1S/C19H19BrN2O7/c20-7-6-12-9-22(19(27)21-17(12)26)18-16(15(25)13(10-23)28-18)29-14(24)8-11-4-2-1-3-5-11/h1-7,9,13,15-16,18,23,25H,8,10H2,(H,21,26,27)/t13-,15-,16+,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50206508
PNG
(1-(2'-O-phenylacetyl-beta-D-arabinofuranosyl)-5(E)...)
Show SMILES OC[C@H]1O[C@H]([C@@H](OC(=O)Cc2ccccc2)[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O |w:22.24|
Show InChI InChI=1S/C19H19BrN2O7/c20-7-6-12-9-22(19(27)21-17(12)26)18-16(15(25)13(10-23)28-18)29-14(24)8-11-4-2-1-3-5-11/h1-7,9,13,15-16,18,23,25H,8,10H2,(H,21,26,27)/t13-,15-,16+,18-/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.19E+5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation


Bioorg Med Chem 15: 3065-81 (2007)


Article DOI: 10.1016/j.bmc.2007.01.049
BindingDB Entry DOI: 10.7270/Q29C6Z76
More data for this
Ligand-Target Pair