Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50118488'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118488 (1-(2,3-Dihydroxy-4-trityloxy-butyl)-5-methyl-1H-py...) Show SMILES Cc1cn(CC(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H28N2O5/c1-20-17-30(27(34)29-26(20)33)18-24(31)25(32)19-35-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24-25,31-32H,18-19H2,1H3,(H,29,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+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 Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase				J Med Chem 45: 4254-63 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118488 (1-(2,3-Dihydroxy-4-trityloxy-butyl)-5-methyl-1H-py...) Show SMILES Cc1cn(CC(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H28N2O5/c1-20-17-30(27(34)29-26(20)33)18-24(31)25(32)19-35-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24-25,31-32H,18-19H2,1H3,(H,29,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+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