Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTP:AMP phosphotransferase AK3, mitochondrial' and Ligand = 'BDBM50367075'   

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
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50367075 (CHEMBL3350513 | CHEMBL611859) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C14H22IN6O14P3/c15-3-8(22)16-1-2-17-12-9-13(19-5-18-12)21(6-20-9)14-11(24)10(23)7(33-14)4-32-37(28,29)35-38(30,31)34-36(25,26)27/h5-7,10-11,14,23-24H,1-4H2,(H,16,22)(H,28,29)(H,30,31)(H,17,18,19)(H2,25,26,27)/t7-,10-,11-,14?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.90E+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 III, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
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