Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.4 BDBM50173933

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))	BDBM50173933 (CHEMBL3808894) Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(=O)NC1CC1)-c1ccccn1 |r| Show InChI InChI=1S/C27H26BrN5O2S/c28-24-12-11-23(36-24)27(35)31-18-4-3-5-19(15-18)33-22-10-7-16(26(34)30-17-8-9-17)14-21(22)32-25(33)20-6-1-2-13-29-20/h1-2,6-7,10-14,17-19H,3-5,8-9,15H2,(H,30,34)(H,31,35)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	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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