Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM21889'   

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)	BDBM21889 (2,9-disubstituted 6-oxopurine, 12m | 9-[4-(4-hydro...) Show SMILES OC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1 Show InChI InChI=1S/C20H26N6O2/c27-16-8-12-25(13-9-16)10-4-5-11-26-14-21-17-18(26)23-20(24-19(17)28)22-15-6-2-1-3-7-15/h1-3,6-7,14,16,27H,4-5,8-13H2,(H2,22,23,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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)	BDBM21889 (2,9-disubstituted 6-oxopurine, 12m | 9-[4-(4-hydro...) Show SMILES OC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1 Show InChI InChI=1S/C20H26N6O2/c27-16-8-12-25(13-9-16)10-4-5-11-26-14-21-17-18(26)23-20(24-19(17)28)22-15-6-2-1-3-7-15/h1-3,6-7,14,16,27H,4-5,8-13H2,(H2,22,23,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	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