Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' and Ligand = 'BDBM50010313'   

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)	BDBM50010313 (CHEMBL3251361) 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(SCCO)nc12 |r| Show InChI InChI=1S/C12H20N5O14P3S/c13-9-6-10(15-4-14-9)17(12(16-6)35-2-1-18)11-8(20)7(19)5(29-11)3-28-33(24,25)31-34(26,27)30-32(21,22)23/h4-5,7-8,11,18-20H,1-3H2,(H,24,25)(H,26,27)(H2,13,14,15)(H2,21,22,23)/t5-,7-,8-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.50E+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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