Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.4 BDBM50173919

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))	BDBM50173919 (CHEMBL3808453) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C23H23BrN6O2S/c1-25-22(31)13-5-6-18-17(11-13)28-21(16-9-10-26-29-16)30(18)15-4-2-3-14(12-15)27-23(32)19-7-8-20(24)33-19/h5-11,14-15H,2-4,12H2,1H3,(H,25,31)(H,26,29)(H,27,32)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+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
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