Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50100410'   

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...)	BDBM50100410 (BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...) Show SMILES CCCCC(=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/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)	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...)	BDBM50100410 (BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...) Show SMILES CCCCC(=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/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)	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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50100410 (BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...) Show SMILES CCCCC(=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/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD 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 HSV1 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...)	BDBM50100410 (BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hyd...) Show SMILES CCCCC(=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/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)	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