Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' and Ligand = 'BDBM50367042'   

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)	BDBM50367042 (CHEMBL606221) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H18N5O13P3/c12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)1-2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,1-2H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
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