BDBM50206492 1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil::CHEMBL240717

SMILES: NCCCCCC(=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=MXSIYEYWAOOHFF-OEYIWLLWSA-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 = 50206492   

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...)	BDBM50206492 (1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]...) Show SMILES NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22| Show InChI InChI=1S/C17H24BrN3O7/c18-6-5-10-8-21(17(26)20-15(10)25)16-14(13(24)11(9-22)27-16)28-12(23)4-2-1-3-7-19/h5-6,8,11,13-14,16,22,24H,1-4,7,9,19H2,(H,20,25,26)/t11-,13-,14+,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+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, mitochondrial (Homo sapiens (Human))	BDBM50206492 (1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]...) Show SMILES NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22| Show InChI InChI=1S/C17H24BrN3O7/c18-6-5-10-8-21(17(26)20-15(10)25)16-14(13(24)11(9-22)27-16)28-12(23)4-2-1-3-7-19/h5-6,8,11,13-14,16,22,24H,1-4,7,9,19H2,(H,20,25,26)/t11-,13-,14+,16-/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, cytosolic (Homo sapiens (Human))	BDBM50206492 (1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]...) Show SMILES NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22| Show InChI InChI=1S/C17H24BrN3O7/c18-6-5-10-8-21(17(26)20-15(10)25)16-14(13(24)11(9-22)27-16)28-12(23)4-2-1-3-7-19/h5-6,8,11,13-14,16,22,24H,1-4,7,9,19H2,(H,20,25,26)/t11-,13-,14+,16-/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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50206492 (1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]...) Show SMILES NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22| Show InChI InChI=1S/C17H24BrN3O7/c18-6-5-10-8-21(17(26)20-15(10)25)16-14(13(24)11(9-22)27-16)28-12(23)4-2-1-3-7-19/h5-6,8,11,13-14,16,22,24H,1-4,7,9,19H2,(H,20,25,26)/t11-,13-,14+,16-/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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50206492 (1-[2'-O-(6-aminohexanoyl)-beta-D-arabinofuranosyl]...) Show SMILES NCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:21.22| Show InChI InChI=1S/C17H24BrN3O7/c18-6-5-10-8-21(17(26)20-15(10)25)16-14(13(24)11(9-22)27-16)28-12(23)4-2-1-3-7-19/h5-6,8,11,13-14,16,22,24H,1-4,7,9,19H2,(H,20,25,26)/t11-,13-,14+,16-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+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