BDBM50100409 BDBM50206502::CHEMBL26529::CHEMBL400410::Decanoic acid 4-hydroxy-5-hydroxymethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester

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

InChI Key: InChIKey=RODPFHDKOVCRPV-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50100409   

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...)	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	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
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 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))	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	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	>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 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, mitochondrial (Homo sapiens (Human))	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100409 (BDBM50206502 | CHEMBL400410 | Decanoic acid 4-hydr...) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H32N2O7/c1-3-4-5-6-7-8-9-10-15(24)29-17-16(25)14(12-23)28-19(17)22-11-13(2)18(26)21-20(22)27/h11,14,16-17,19,23,25H,3-10,12H2,1-2H3,(H,21,26,27)	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