Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, mitochondrial' and Ligand = 'BDBM50122749'   

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))	BDBM50122749 (CHEMBL3623144) Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1NS(C)(=O)=O |r| Show InChI InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB 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 after 10 mins by fluorescent assay				ACS Med Chem Lett 6: 919-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00179 BindingDB Entry DOI: 10.7270/Q2GB25T0
					More data for this Ligand-Target Pair				3D Structure (crystal)