Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase, mitochondrial' and Ligand = 'BDBM50140705'   

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
Phenylalanine--tRNA ligase, mitochondrial (Homo sapiens (Human))	BDBM50140705 (5-(2-methoxyphenyl)-3-phenylspiro[perhydrofuro[3,4...) Show SMILES COc1ccccc1-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1 |(13.87,-8.94,;12.54,-8.15,;11.21,-8.92,;11.21,-10.46,;9.88,-11.25,;8.54,-10.46,;8.54,-8.92,;9.88,-8.15,;9.88,-6.61,;11.08,-5.67,;12.58,-6.1,;10.55,-4.22,;10.95,-2.74,;9.67,-1.89,;8.47,-2.85,;8.31,-1.31,;9.46,-.29,;6.8,-.99,;6.03,.34,;4.49,.34,;3.72,-.99,;4.49,-2.32,;6.03,-2.32,;7.08,-3.48,;6.79,-5,;9.01,-4.29,;8.59,-5.77,;7.15,-6.31,;12.42,-2.27,;13.56,-3.31,;15.03,-2.85,;15.36,-1.36,;14.22,-.31,;12.76,-.78,)| Show InChI InChI=1S/C27H19NO6/c1-33-19-14-8-7-13-18(19)28-25(31)20-21(26(28)32)27(34-22(20)15-9-3-2-4-10-15)23(29)16-11-5-6-12-17(16)24(27)30/h2-14,22,31-32H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human phenylalanyl-tRNA synthetase was determined				Bioorg Med Chem Lett 14: 1339-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.081 BindingDB Entry DOI: 10.7270/Q2PR7VDS
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