BDBM50081837 CHEMBL99347::[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-(2-hydroxy-phenyl)-acetic acid methyl ester

SMILES: COC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1O

InChI Key: InChIKey=BNVNOCXKNMFFEC-LBAUFKAWSA-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 = 50081837   

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))	BDBM50081837 (CHEMBL99347 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...) Show SMILES COC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1O Show InChI InChI=1S/C18H20N2O5/c1-25-18(24)16(13-4-2-3-5-15(13)22)20-17(23)14(19)10-11-6-8-12(21)9-7-11/h2-9,14,16,21-22H,10,19H2,1H3,(H,20,23)/t14-,16?/m0/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 9: 2859-62 (1999) BindingDB Entry DOI: 10.7270/Q2F18XX9
					More data for this Ligand-Target Pair