Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4 BDBM50162320

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50162320 (CHEMBL3793462) Show SMILES CCOC(=O)Cc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C Show InChI InChI=1S/C18H17N3O4S/c1-3-25-13(22)8-11-6-4-5-7-12(11)21-17(24)15-10(2)14-16(23)19-9-20-18(14)26-15/h4-7,9H,3,8H2,1-2H3,(H,21,24)(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis				J Med Chem 59: 2452-67 (2016) Article DOI: 10.1021/acs.jmedchem.5b01607 BindingDB Entry DOI: 10.7270/Q2GQ70NC
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