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BDBM50205239 3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(3-hydroxyphenyl)furo[2,3-d]pyrimidin-2(3H)-one::3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-hydroxyphenyl)-2,3-dihydrofuro[2,3-d]pyrimidin-2-one::CHEMBL375147

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1

InChI Key: InChIKey=HDOMTYGIAXABKT-NWANDNLSSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205239   
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


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50205239
PNG
(3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1
Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



K.U. Leuven

Curated by ChEMBL


Assay Description
Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation


J Med Chem 50: 1041-9 (2007)


Article DOI: 10.1021/jm060964m
BindingDB Entry DOI: 10.7270/Q2833RQS
More data for this
Ligand-Target Pair
Thymidine kinase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50205239
PNG
(3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1
Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


Bioorg Med Chem Lett 17: 3458-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.081
BindingDB Entry DOI: 10.7270/Q2V40TVW
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50205239
PNG
(3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1
Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-2-1-3-11(21)4-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



K.U. Leuven

Curated by ChEMBL


Assay Description
Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation


J Med Chem 50: 1041-9 (2007)


Article DOI: 10.1021/jm060964m
BindingDB Entry DOI: 10.7270/Q2833RQS
More data for this
Ligand-Target Pair