BDBM50206499 9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine::CHEMBL401029

SMILES: CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O

InChI Key: InChIKey=FAIFRMCSORLUML-BKWHQTBESA-N

Data: 6 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 6 hits for monomerid = 50206499   

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, mitochondrial (Homo sapiens (Human))	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human TK1 assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Diacylglycerol kinase 1 (Drosophila melanogaster)	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster dGK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50206499 (9-(2'-O-pentanoyl-beta-D-arabinofuranosyl)guanine ...) Show SMILES CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H21N5O6/c1-2-3-4-8(22)26-11-10(23)7(5-21)25-14(11)20-6-17-9-12(20)18-15(16)19-13(9)24/h6-7,10-11,14,21,23H,2-5H2,1H3,(H3,16,18,19,24)/t7-,10-,11+,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair