BDBM50097749 CHEMBL163375::[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-acetic acid (S)-butyl ester

SMILES: CCCCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=MTLWINFICPUJFQ-DQTLNXAHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097749   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosyl-tRNA synthetase (Homo sapiens (Human))	BDBM50097749 (CHEMBL163375 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...) Show SMILES CCCCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C21H32N2O8/c1-3-4-9-30-21(29)15(19-18(27)17(26)16(25)11(2)31-19)23-20(28)14(22)10-12-5-7-13(24)8-6-12/h5-8,11,14-19,24-27H,3-4,9-10,22H2,1-2H3,(H,23,28)/t11-,14+,15+,16+,17+,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay				Bioorg Med Chem Lett 11: 715-8 (2001) BindingDB Entry DOI: 10.7270/Q20C4V1Q
					More data for this Ligand-Target Pair