Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3 BDBM50162318

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))	BDBM50162318 (CHEMBL3794532) Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccccc1CC(O)=O Show InChI InChI=1S/C16H13N3O4S/c1-8-12-14(22)17-7-18-16(12)24-13(8)15(23)19-10-5-3-2-4-9(10)6-11(20)21/h2-5,7H,6H2,1H3,(H,19,23)(H,20,21)(H,17,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)