Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50533824'   

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
Adenosine kinase (Homo sapiens (Human))	BDBM50533824 (CHEMBL4574016) Show SMILES CC(=O)Nc1nc(nc2oc(nc12)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN4O2/c1-11(25)21-17-15-19(24-16(23-17)12-5-3-2-4-6-12)26-18(22-15)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026 BindingDB Entry DOI: 10.7270/Q2TB1BDD
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