Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 199.2 BDBM50162499Purchase

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))	BDBM50162499 (CHEMBL3793205) Show SMILES O=C(Nc1cncnc1)c1ccccc1 Show InChI InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+6	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)