Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, mitochondrial' and Ligand = 'BDBM50173922'   

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))	BDBM50173922 (CHEMBL3809282) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...				ACS Med Chem Lett 7: 379-84 (2016) Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50173922 (CHEMBL3809282) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
					More data for this Ligand-Target Pair