BDBM50097746 (S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-((1R,5R,8S)-2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)-acetic acid::CHEMBL161302

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C1C(O)[C@]2(O)CO[C@H]([C@H]2O)N1O)C(O)=O

InChI Key: InChIKey=JOBDOAKLPNMGKV-HBKCPIRDSA-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 = 50097746   

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))	BDBM50097746 ((S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylami...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C1C(O)[C@]2(O)CO[C@H]([C@H]2O)N1O)C(O)=O Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11?,12?,13+,15+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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: 711-4 (2001) BindingDB Entry DOI: 10.7270/Q2445KR1
					More data for this Ligand-Target Pair