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BDBM50472271 1-(Phosphonomethoxyethyl)-Cytosine::CHEMBL418216

SMILES: Nc1ccn(CCOCP(O)(O)=O)c(=O)n1

InChI Key: InChIKey=XXUKNWCJFNYLDP-UHFFFAOYSA-N

Data: 5 EC50

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 5 hits for monomerid = 50472271   
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...)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.01E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.02E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.02E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.02E+5n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50472271
PNG
(1-(Phosphonomethoxyethyl)-Cytosine | CHEMBL418216)
Show SMILES Nc1ccn(CCOCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60E+6n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


Article DOI: 10.1021/jm9811256
BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair