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BDBM50027352 1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsulfanyl-1H-pyrimidin-2-one::CHEMBL268232

SMILES: CSc1cnc(=O)n(c1)C1CC(O)C(O)O1

InChI Key: InChIKey=SYNUJBXAZLTOSR-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50027352   
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, cytosolic


(Homo sapiens (Human))
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HSV-1 infected HeLa Bu


J Med Chem 24: 109-12 (1981)


BindingDB Entry DOI: 10.7270/Q2DF6Q7X
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from Varicella zoster virus infected human cells


J Med Chem 24: 109-12 (1981)


BindingDB Entry DOI: 10.7270/Q2DF6Q7X
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HeLa mitochondria


J Med Chem 24: 109-12 (1981)


BindingDB Entry DOI: 10.7270/Q2DF6Q7X
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50027352
PNG
(1-(4,5-Dihydroxy-tetrahydro-furan-2-yl)-5-methylsu...)
Show SMILES CSc1cnc(=O)n(c1)C1CC(O)C(O)O1
Show InChI InChI=1S/C9H12N2O4S/c1-16-5-3-10-9(14)11(4-5)7-2-6(12)8(13)15-7/h3-4,6-8,12-13H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity to thymidine kinase from HeLa cytosol


J Med Chem 24: 109-12 (1981)


BindingDB Entry DOI: 10.7270/Q2DF6Q7X
More data for this
Ligand-Target Pair