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BDBM50210804 2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-dihydro-purin-6-one::2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-dihydro-purin-6-one (PCV)::2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-dihydro-purin-6-one(PCV, Penciclovir)::2-[2-(2-Amino-6-hydroxy-purin-9-yl)-ethyl]-propane-1,3-diol::9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE::BRL-39123::CHEMBL1540::PENCICLOVIR::pencyclovir

SMILES: Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1

InChI Key: InChIKey=JNTOCHDNEULJHD-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50210804   
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


(Macacine herpesvirus 1)
BDBM50210804
PNG
(2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-di...)
Show SMILES Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
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PC cid
PC sid
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Article
PubMed
n/an/a 8.44E+4n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation


Antimicrob Agents Chemother 51: 2028-34 (2007)

More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50210804
PNG
(2-Amino-9-(4-hydroxy-3-hydroxymethyl-butyl)-1,9-di...)
Show SMILES Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



K.U. Leuven

Curated by ChEMBL


Assay Description
Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation


J Med Chem 50: 1041-9 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)