BindingDB logo
myBDB logout

BDBM50472263 CHEMBL65808

SMILES: CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C

InChI Key: InChIKey=AFDIUJFFMMSODE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50472263   
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 3)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>9.39E+3n/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)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>9.39E+3n/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
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/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 1 (strain SC16) (HHV-1) (Human h...)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 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)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>9.39E+3n/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)
BDBM50472263
PNG
(CHEMBL65808)
Show SMILES CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c12)OCCCCCC(C)C
Show InChI InChI=1S/C24H43ClN5O4P/c1-19(2)11-7-5-9-14-33-35(31,34-15-10-6-8-12-20(3)4)18-32-16-13-30-17-27-23-21(30)22(25)28-24(26)29-23/h17,19-20H,5-16,18H2,1-4H3,(H2,26,28,29)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>9.39E+3n/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