Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase, mitochondrial' and Ligand = 'BDBM50140715'   

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))	BDBM50140715 (3-(4-chlorophenyl)-5-(4-chloro-3-trifluoromethylph...) Show SMILES Oc1c2C(OC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H14Cl2F3NO5/c28-13-7-5-12(6-8-13)21-19-20(26(38-21)22(34)15-3-1-2-4-16(15)23(26)35)25(37)33(24(19)36)14-9-10-18(29)17(11-14)27(30,31)32/h1-11,21,36-37H	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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