BDBM50104311 (S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-((1S,4S,5S,6S)-4,5,6-trihydroxy-cyclohex-2-enyl)-acetic acid ethyl ester::CHEMBL84867

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

InChI Key: InChIKey=VMTUVKNXDKTJOR-UYLCUJDWSA-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 = 50104311   

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))	BDBM50104311 ((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O |c:21| Show InChI InChI=1S/C19H26N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-8,12-17,22-25H,2,9,20H2,1H3,(H,21,26)/t12-,13-,14-,15-,16-,17-/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase				Bioorg Med Chem Lett 11: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89BPK
					More data for this Ligand-Target Pair