BDBM50217806 3-(2-deoxy-D-erythro-pentofuranosyl)-6-(2-hexylpyrimid-5-yl)furo[2,3-d]pyrimidin-2(3H)-one::CHEMBL396223

SMILES: CCCCCCc1cnc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1

InChI Key: InChIKey=VDKALBWTOBDCPU-CGTJXYLNSA-N

Data: 1 IC50

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 1 hit for monomerid = 50217806   

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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50217806 (3-(2-deoxy-D-erythro-pentofuranosyl)-6-(2-hexylpyr...) Show SMILES CCCCCCc1cnc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C21H26N4O5/c1-2-3-4-5-6-13-9-22-19(23-10-13)16-7-14-11-25(21(28)24-20(14)30-16)18-8-15(27)17(12-26)29-18/h7,9-11,15,17-18,26-27H,2-6,8,12H2,1H3/t15-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Inhibition of VZV thymidine kinase				J Med Chem 50: 3897-905 (2007) Article DOI: 10.1021/jm070210n BindingDB Entry DOI: 10.7270/Q2S75G19
					More data for this Ligand-Target Pair