BDBM50524360 CHEMBL3265242

SMILES: CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O

InChI Key: InChIKey=INTCXWZCSRBNOQ-HKTCIEFVSA-N

Data: 1 KI

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 = 50524360   

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
tRNA synthetase (IleRS) (Escherichia coli)	BDBM50524360 (CHEMBL3265242) Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O |r| Show InChI InChI=1S/C15H25N5O8S/c1-3-7(2)10(17)13(23)19-29(25,26)27-6-8-11(21)12(22)14(28-8)20-5-4-9(16)18-15(20)24/h4-5,7-8,10-12,14,21-22H,3,6,17H2,1-2H3,(H,19,23)(H2,16,18,24)/t7-,8+,10-,11+,12+,14+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of purified Escherichia coli BL21 (DE3) ileRS incubated for 10 mins in presence of 14C-labeled isoleucine by radiolabel transfer assay				Eur J Med Chem 173: 154-166 (2019) Article DOI: 10.1016/j.ejmech.2019.04.003
					More data for this Ligand-Target Pair