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SMILES: CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C

InChI Key: InChIKey=PNJPQIXUWFJUKS-UHFFFAOYSA-N

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 = 50472234   
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...)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>8.86E+5n/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)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.76E+4n/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)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.10E+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+) 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...)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>8.86E+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)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.10E+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)
BDBM50472234
PNG
(CHEMBL65163)
Show SMILES CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc12)OC(C)C
Show InChI InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.10E+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