Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase alpha/beta subunit' and Ligand = 'BDBM231666'   

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 alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231666 (N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...) Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Pseudomonas aeruginosa)	BDBM231666 (N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...) Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair