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CHEMBL1092729 3'-(1,2,3-Triazol-1-yl)-3'-deoxy-beta-D-thymidine

SMILES: Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2ccnn2)c(=O)[nH]c1=O |r|

InChI Key: InChIKey=CPWUCLYZTKEZPT-SLOTWNJKNA-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
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Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50314847    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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...)
CHEMBL1092729
PNG
(3'-(1,2,3-Triazol-1-yl)-3'-deoxy-beta-D-thymidine)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2ccnn2)c(=O)[nH]c1=O
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 212000.0n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of HSV1 thymidine kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase, mitochondrial


(Homo sapiens)
CHEMBL1092729
PNG
(3'-(1,2,3-Triazol-1-yl)-3'-deoxy-beta-D-thymidine)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2ccnn2)c(=O)[nH]c1=O
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 4700.0n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
CHEMBL1092729
PNG
(3'-(1,2,3-Triazol-1-yl)-3'-deoxy-beta-D-thymidine)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2ccnn2)c(=O)[nH]c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 40000.0n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster multifunctional deoxynucleoside kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins ...


Citation and Details
More data for this
Ligand-Target Pair