BDBM50122745 CHEMBL3623148

SMILES: CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1

InChI Key: InChIKey=IZYYKWDVLNAKBN-QGZVFWFLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122745   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50122745 (CHEMBL3623148) Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21BrN2O3S/c1-25-22(27)18-8-7-16(15-5-3-2-4-6-15)13-19(18)29-17-11-12-26(14-17)23(28)20-9-10-21(24)30-20/h2-10,13,17H,11-12,14H2,1H3,(H,25,27)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q2GB25T0
					More data for this Ligand-Target Pair