Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 538.4 BDBM50173930

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))	BDBM50173930 (CHEMBL3808610) Show SMILES CN([C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1)C(=O)c1ccc(Br)s1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-30(25(33)21-10-11-22(26)34-21)16-5-4-6-17(14-16)31-20-9-8-15(23(27)32)13-19(20)29-24(31)18-7-2-3-12-28-18/h2-3,7-13,16-17H,4-6,14H2,1H3,(H2,27,32)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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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