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Target
Branched-chain-amino-acid aminotransferase, cytosolic
Ligand
BDBM50173939
Substrate
n/a
Meas. Tech.
ChEBML_1581369
IC50
1259±n/a nM
Citation
 Deng, H; Zhou, J; Sundersingh, F; Messer, JA; Somers, DO; Ajakane, M; Arico-Muendel, CC; Beljean, A; Belyanskaya, SL; Bingham, R; Blazensky, E; Boullay, AB; Boursier, E; Chai, J; Carter, P; Chung, CW; Daugan, A; Ding, Y; Herry, K; Hobbs, C; Humphries, E; Kollmann, C; Nguyen, VL; Nicodeme, E; Smith, SE; Dodic, N; Ancellin, N Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. ACS Med Chem Lett 7:379-84 (2016) [PubMed]  Article 
Target
Name:
Branched-chain-amino-acid aminotransferase, cytosolic
Synonyms:
BCAT1 | BCAT1_HUMAN | BCT1 | Branched-chain-amino-acid transferase | ECA39
Type:
PROTEIN
Mol. Mass.:
42957.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1516919
Residue:
386
Sequence:
MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFGTVFTDHMLTVEWSSEFGWEKPHIKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFQPNLNMDRMYRSAVRATLPVFDKEELLECIQQLVKLDQEWVPYSTSASLYIRPTFIGTEPSLGVKKPTKALLFVLLSPVGPYFSSGTFNPVSLWANPKYVRAWKGGTGDCKMGGNYGSSLFAQCEAVDNGCQQVLWLYGEDHQITEVGTMNLFLYWINEDGEEELATPPLDGIILPGVTRRCILDLAHQWGEFKVSERYLTMDDLTTALEGNRVREMFGSGTACVVCPVSDILYKGETIHIPTMENGPKLASRILSKLTDIQYGREESDWTIVLS
  
Inhibitor
Name:
BDBM50173939
Synonyms:
CHEMBL3809237
Type:
Small organic molecule
Emp. Form.:
C27H27BrN4O2S2
Mol. Mass.:
583.563
SMILES:
CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r|
Structure:
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