Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM21884'   

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 2)	BDBM21884 (2,9-disubstituted 6-oxopurine, 12h | 9-{4-[2-(2-hy...) Show SMILES OCCC1CCCCN1CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C22H30N6O2/c29-15-11-18-10-4-5-12-27(18)13-6-7-14-28-16-23-19-20(28)25-22(26-21(19)30)24-17-8-2-1-3-9-17/h1-3,8-9,16,18,29H,4-7,10-15H2,(H2,24,25,26,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM21884 (2,9-disubstituted 6-oxopurine, 12h | 9-{4-[2-(2-hy...) Show SMILES OCCC1CCCCN1CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C22H30N6O2/c29-15-11-18-10-4-5-12-27(18)13-6-7-14-28-16-23-19-20(28)25-22(26-21(19)30)24-17-8-2-1-3-9-17/h1-3,8-9,16,18,29H,4-7,10-15H2,(H2,24,25,26,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	7.5	37
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair