Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 478.9 BDBM50173934

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))	BDBM50173934 (CHEMBL3809651) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Cl)no3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...				ACS Med Chem Lett 7: 379-84 (2016) Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6
					More data for this Ligand-Target Pair