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)	Ligand	Target/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	pH	Temp °C
Thymidine kinase (Macacine herpesvirus 1)	BDBM50210804 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.44E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1128/AAC.01284-06 BindingDB Entry DOI: 10.7270/Q2RN38R9
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50210804 (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 MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm060964m BindingDB Entry DOI: 10.7270/Q2833RQS
					More data for this Ligand-Target Pair				3D Structure (crystal)