Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50132253'   

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))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	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	2.30E+3	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))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	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	2.60E+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
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	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	>5.00E+5	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