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SMILES: CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12

InChI Key: InChIKey=SRLJPXAJFYRCBS-MRVPVSSYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50241756   

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...)	BDBM50241756 (CHEMBL4075879) Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r| Show InChI InChI=1S/C10H13BBrNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	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
Leucine--tRNA ligase, mitochondrial (Homo sapiens)	BDBM50241756 (CHEMBL4075879) Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r| Show InChI InChI=1S/C10H13BBrNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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 mitochondrial LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to...				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, cytoplasmic (Homo sapiens (Human))	BDBM50241756 (CHEMBL4075879) Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r| Show InChI InChI=1S/C10H13BBrNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/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	6.69E+4	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, cytoplasmic (Homo sapiens (Human))	BDBM50241756 (CHEMBL4075879) Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r| Show InChI InChI=1S/C10H13BBrNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/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	3.05E+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