BDBM50227795 CHEMBL2114438

SMILES: [H][C@]1(O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C/Sc2ccccc2)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O

InChI Key: InChIKey=YEPRDHNCJFSDDD-HLJCOIPGSA-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 = 50227795   

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)	BDBM50227795 (CHEMBL2114438) Show SMILES [H][C@]1(O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C/Sc2ccccc2)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O Show InChI InChI=1S/C22H32O5S/c1-13(12-28-17-7-5-4-6-8-17)9-18-21(25)20(24)16(11-26-18)10-19-22(27-19)14(2)15(3)23/h4-8,12,14-16,18-25H,9-11H2,1-3H3/b13-12-/t14-,15-,16-,18-,19-,20+,21-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Isoleucyl-tRNA synthetase				J Med Chem 32: 151-60 (1989) BindingDB Entry DOI: 10.7270/Q28054TD
					More data for this Ligand-Target Pair