Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 521.4 BDBM50173940

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))	BDBM50173940 (CHEMBL3809515) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Br)c[nH]3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H25BrN6O2/c1-27-24(33)15-8-9-22-20(11-15)31-23(19-7-2-3-10-28-19)32(22)18-6-4-5-17(13-18)30-25(34)21-12-16(26)14-29-21/h2-3,7-12,14,17-18,29H,4-6,13H2,1H3,(H,27,33)(H,30,34)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+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