BDBM50290689 9-{(E)-4-[(2S,3R,4R,5S)-5-(3-Chloro-propane-1-sulfonylamino)-3,4-dihydroxy-tetrahydro-pyran-2-yl]-but-2-enoyloxy}-nonanoic acid methyl ester::CHEMBL94318

SMILES: COC(=O)CCCCCCCCOC(=O)\C=C\C[C@@H]1OC[C@H](NS(=O)(=O)CCCCl)[C@@H](O)[C@H]1O

InChI Key: InChIKey=POZOCGQLXNFZMU-DSBNAMCRSA-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 = 50290689   

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, cytoplasmic (Homo sapiens (Human))	BDBM50290689 (9-{(E)-4-[(2S,3R,4R,5S)-5-(3-Chloro-propane-1-sulf...) Show SMILES COC(=O)CCCCCCCCOC(=O)\C=C\C[C@@H]1OC[C@H](NS(=O)(=O)CCCCl)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H38ClNO9S/c1-31-19(25)11-6-4-2-3-5-7-14-32-20(26)12-8-10-18-22(28)21(27)17(16-33-18)24-34(29,30)15-9-13-23/h8,12,17-18,21-22,24,27-28H,2-7,9-11,13-16H2,1H3/b12-8+/t17-,18-,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 7: 2805-2808 (1997) Article DOI: 10.1016/S0960-894X(97)10088-9 BindingDB Entry DOI: 10.7270/Q21Z44FK
					More data for this Ligand-Target Pair