Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' and Ligand = 'BDBM50010314'   

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
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50010314 (CHEMBL3251362) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCCCO)nc12 |r| Show InChI InChI=1S/C14H24N5O14P3S/c15-11-8-12(17-6-16-11)19(14(18-8)37-4-2-1-3-20)13-10(22)9(21)7(31-13)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,20-22H,1-5H2,(H,26,27)(H,28,29)(H2,15,16,17)(H2,23,24,25)/t7-,9-,10-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.45E+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 Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis				J Med Chem 22: 1529-32 (1980) BindingDB Entry DOI: 10.7270/Q2JD4Z9V
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