BDBM50241781 CHEMBL4066833

SMILES: Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21

InChI Key: InChIKey=LWCQHIWYAHBONZ-OGFXRTJISA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50241781   

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
Leucyl-tRNA synthetase (Homo sapiens (Human))	BDBM50241781 (CHEMBL4066833) Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21 |r| Show InChI InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal 6His-tagged cytoplasmic LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to E...				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
Leucine--tRNA ligase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50241781 (CHEMBL4066833) Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21 |r| Show InChI InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Leucyl-tRNA synthetase (Homo sapiens (Human))	BDBM50241781 (CHEMBL4066833) Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21 |r| Show InChI InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of cytoplasmic LeuRS in human HepG2 cells assessed as reduction in protein synthesis preincubated for 48 hrs followed by L-[14C]leucine ad...				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