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Compile Data Set for Download or QSAR

Found 3 hits of ki for drug = Acyclovir Sodium   
Target/Host
(Institution)
LigandTarget/Host
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, cytosolic


(Homo sapiens)
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens)
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
PDB
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Article
PubMed
1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2


J Med Chem 30: 867-71 (1987)


Article DOI: 10.1021/jm00388a021
BindingDB Entry DOI: 10.7270/Q2Z32077
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1.80E+5n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


Article DOI: 10.1021/jm00060a010
BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)