Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase, mitochondrial' and Ligand = 'BDBM50140729'   

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))	BDBM50140729 (13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...) Show SMILES O[C@@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22-,23+,26+/m1/s1	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase				Bioorg Med Chem Lett 14: 1343-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.082 BindingDB Entry DOI: 10.7270/Q2K073Q6
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase, mitochondrial (Homo sapiens (Human))	BDBM50140729 (13N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-pheny...) Show SMILES O[C@@H]1c2ccccc2[C@@H]2OC(=O)[C@H]3[C@H]([C@@H](O[C@@]123)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(31)19-20-25(32)33-23-16-9-5-4-8-15(16)22(30)26(20,23)34-21(19)13-6-2-1-3-7-13/h1-12,19-23,30H,(H,29,31)/t19-,20-,21+,22-,23+,26+/m1/s1	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase				Bioorg Med Chem Lett 14: 1343-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.082 BindingDB Entry DOI: 10.7270/Q2K073Q6
					More data for this Ligand-Target Pair