BDBM50241794 CHEMBL4075254

SMILES: Cl.NCC1OB(O)c2c1c(Cl)ccc2OCc1ccccc1

InChI Key: InChIKey=WWEPGYXJNHZXGB-UHFFFAOYSA-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 = 50241794   

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
Leucine--tRNA ligase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50241794 (CHEMBL4075254) Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCc1ccccc1 Show InChI InChI=1S/C15H15BClNO3.ClH/c17-11-6-7-12(20-9-10-4-2-1-3-5-10)15-14(11)13(8-18)21-16(15)19;/h1-7,13,19H,8-9,18H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...				J Med Chem 60: 8011-8026 (2017) Article DOI: 10.1021/acs.jmedchem.7b00631 BindingDB Entry DOI: 10.7270/Q2XD13TH
					More data for this Ligand-Target Pair