BDBM50227797 CHEMBL42195

SMILES: [H][C@]1(O[C@H]1CC1CO[C@@H](C\C(C)=C\SCCCC)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O

InChI Key: InChIKey=CMHGKCGBIBJFGN-KCIVQYOLSA-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 = 50227797   

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
Isoleucine--tRNA ligase (Escherichia coli)	BDBM50227797 (CHEMBL42195) Show SMILES [H][C@]1(O[C@H]1CC1CO[C@@H](C\C(C)=C\SCCCC)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O Show InChI InChI=1S/C20H36O5S/c1-5-6-7-26-11-12(2)8-16-19(23)18(22)15(10-24-16)9-17-20(25-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11+/t13-,14-,15?,16-,17-,18+,19-,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+3	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