BDBM50206483 (2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-3-yl 2-methoxyacetate::CHEMBL399413

SMILES: COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O

InChI Key: InChIKey=NNONZLUPBQRBKD-GMTLJSCSSA-N

Data: 5 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 5 hits for monomerid = 50206483   

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...)	BDBM50206483 ((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...) Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19| Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/t8-,10-,11+,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	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
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50206483 ((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...) Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19| Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/t8-,10-,11+,13-/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	>1.00E+6	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
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50206483 ((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...) Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19| Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/t8-,10-,11+,13-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+4	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
Thymidine kinase, mitochondrial (Homo sapiens (Human))	BDBM50206483 ((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...) Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19| Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/t8-,10-,11+,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50206483 ((2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,...) Show SMILES COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:18.19| Show InChI InChI=1S/C14H17BrN2O8/c1-23-6-9(19)25-11-10(20)8(5-18)24-13(11)17-4-7(2-3-15)12(21)16-14(17)22/h2-4,8,10-11,13,18,20H,5-6H2,1H3,(H,16,21,22)/t8-,10-,11+,13-/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	2.15E+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