Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, mitochondrial' and Ligand = 'BDBM50122753'   

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))	BDBM50122753 (CHEMBL3623141) Show SMILES CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1cc(Br)ccc1N)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C26H24BrN3O5/c1-29-24(31)20-7-5-16(15-3-2-4-17(11-15)26(33)34)12-23(20)35-19-9-10-30(14-19)25(32)21-13-18(27)6-8-22(21)28/h2-8,11-13,19H,9-10,14,28H2,1H3,(H,29,31)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
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