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Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50118520
Substrate
n/a
Meas. Tech.
ChEMBL_1516909 (CHEMBL3618962)
IC50
158±n/a nM
Citation
 Bertrand, SM; Ancellin, N; Beaufils, B; Bingham, RP; Borthwick, JA; Boullay, AB; Boursier, E; Carter, PS; Chung, CW; Churcher, I; Dodic, N; Fouchet, MH; Fournier, C; Francis, PL; Gummer, LA; Herry, K; Hobbs, A; Hobbs, CI; Homes, P; Jamieson, C; Nicodeme, E; Pickett, SD; Reid, IH; Simpson, GL; Sloan, LA; Smith, SE; Somers, DO; Spitzfaden, C; Suckling, CJ; Valko, K; Washio, Y; Young, RJ The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem 58:7140-63 (2015) [PubMed]  Article 
Target
Name:
Branched-chain-amino-acid aminotransferase, mitochondrial
Synonyms:
BCAT(m) | BCAT2 | BCAT2_HUMAN | BCATM | BCATM | BCT2 | Branched-chain-amino-acid aminotransferase, mitochondrial | ECA40 | PP18 | Placental protein 18
Type:
PROTEIN
Mol. Mass.:
44297.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109874
Residue:
392
Sequence:
MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPGPGEPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPTRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIRAHEWMFPV
  
Inhibitor
Name:
BDBM50118520
Synonyms:
CHEMBL3617075
Type:
Small organic molecule
Emp. Form.:
C16H15BrN6O
Mol. Mass.:
387.234
SMILES:
CCCc1cc(=O)n2nc(NCc3ccc(Br)cn3)c(C#N)c2[nH]1
Structure:
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