BDBM50241769 CHEMBL4090012

SMILES: Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCCO

InChI Key: InChIKey=VRUKXUVBEKHTFN-SBSPUUFOSA-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 = 50241769   

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...)	BDBM50241769 (CHEMBL4090012) Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCCO |r| Show InChI InChI=1S/C11H15BBrNO4.ClH/c13-7-2-3-8(17-5-1-4-15)11-10(7)9(6-14)18-12(11)16;/h2-3,9,15-16H,1,4-6,14H2;1H/t9-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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