BDBM50217798 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[2-(pent-1-yn-1-yl)-pyrid-5-yl]furo[2,3-d]pyrimidin-2(3H)-one::CHEMBL397671

SMILES: CCCC#Cc1ccc(cn1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1

InChI Key: InChIKey=OSUWOOMAEHCWGZ-QXAKKESOSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217798   

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...)	BDBM50217798 (3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[2-(pe...) Show SMILES CCCC#Cc1ccc(cn1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C21H21N3O5/c1-2-3-4-5-15-7-6-13(10-22-15)17-8-14-11-24(21(27)23-20(14)29-17)19-9-16(26)18(12-25)28-19/h6-8,10-11,16,18-19,25-26H,2-3,9,12H2,1H3/t16-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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