Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50100412'   

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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50100412 (BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...) Show SMILES CCCCCCCCCC(=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/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)	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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100412 (BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...) Show SMILES CCCCCCCCCC(=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/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)	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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50100412 (BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hy...) Show SMILES CCCCCCCCCC(=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/C22H36N2O7/c1-3-4-5-6-7-8-9-10-11-12-17(26)31-19-18(27)16(14-25)30-21(19)24-13-15(2)20(28)23-22(24)29/h13,16,18-19,21,25,27H,3-12,14H2,1-2H3,(H,23,28,29)	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