Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50000977'   

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 (Cricetulus griseus)	BDBM50000977 (CHEMBL3229803) Show SMILES CN(CCN(C)C(C)=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H26N4O5/c1-10-8-20(16(24)17-15(10)23)14-7-12(22)13(25-14)9-18(3)5-6-19(4)11(2)21/h8,12-14,22H,5-7,9H2,1-4H3,(H,17,23,24)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...				J Med Chem 22: 621-31 (1979) BindingDB Entry DOI: 10.7270/Q2WH2RHF
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