Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' and Ligand = 'BDBM50367066'   

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)	BDBM50367066 (CHEMBL3350509 | CHEMBL610373) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C27H47IN7O15P3/c1-33(21(37)11-7-3-4-8-12-29-20(36)15-28)13-9-5-6-10-14-34(2)25-22-26(31-17-30-25)35(18-32-22)27-24(39)23(38)19(48-27)16-47-52(43,44)50-53(45,46)49-51(40,41)42/h17-19,23-24,27,38-39H,3-16H2,1-2H3,(H,29,36)(H,43,44)(H,45,46)(H2,40,41,42)/t19-,23-,24-,27?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
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