BDBM50100406 1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL285105::CHEMBL3143826

SMILES: Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=DATBKOIZQJYNAJ-UHFFFAOYSA-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 = 50100406   

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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50100406 (1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50100406 (1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50100406 (1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against cytosolic thymidine kinase (TK-1)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100406 (1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair
Thymidine kinase, mitochondrial (Homo sapiens (Human))	BDBM50100406 (1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCc2ccccc2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration against mitochondrial thymidine kinase (TK-2)				Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF
					More data for this Ligand-Target Pair