BDBM50118497 CHEMBL134449::Heptanoic acid 3-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propenyl ester

SMILES: CCCCCCC(=O)O\C=C/Cn1cc(C)c(=O)[nH]c1=O

InChI Key: InChIKey=ONFURSSDCGGGJA-YFHOEESVSA-N

Data: 1 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 1 hit for monomerid = 50118497   

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, cytosolic (Homo sapiens (Human))	BDBM50118497 (CHEMBL134449 | Heptanoic acid 3-(5-methyl-2,4-diox...) Show SMILES CCCCCCC(=O)O\C=C/Cn1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C15H22N2O4/c1-3-4-5-6-8-13(18)21-10-7-9-17-11-12(2)14(19)16-15(17)20/h7,10-11H,3-6,8-9H2,1-2H3,(H,16,19,20)/b10-7-	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair