Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50132255'   

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))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair