Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' and Ligand = 'BDBM50010315'   

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)	BDBM50010315 (CHEMBL3251363) 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(Sc3ccccc3)nc12 |r| Show InChI InChI=1S/C16H20N5O13P3S/c17-13-10-14(19-7-18-13)21(16(20-10)38-8-4-2-1-3-5-8)15-12(23)11(22)9(32-15)6-31-36(27,28)34-37(29,30)33-35(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined				J Med Chem 25: 638-44 (1982) BindingDB Entry DOI: 10.7270/Q2MG7Q28
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50010315 (CHEMBL3251363) 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(Sc3ccccc3)nc12 |r| Show InChI InChI=1S/C16H20N5O13P3S/c17-13-10-14(19-7-18-13)21(16(20-10)38-8-4-2-1-3-5-8)15-12(23)11(22)9(32-15)6-31-36(27,28)34-37(29,30)33-35(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.20E+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
					More data for this Ligand-Target Pair