| Reaction Details |
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 | Report a problem with these data |
| Target | Branched-chain-amino-acid aminotransferase, mitochondrial |
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| Ligand | BDBM50118668 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1516909 (CHEMBL3618962) |
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| IC50 | 10.0±n/a nM |
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| 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 Chem58:7140-63 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Branched-chain-amino-acid aminotransferase, mitochondrial |
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| Name: | Branched-chain-amino-acid aminotransferase, mitochondrial |
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| Synonyms: | BCAT(m) | BCAT2 | BCAT2_HUMAN | BCATM | BCATM | BCT2 | Branched-chain-amino-acid aminotransferase, mitochondrial | ECA40 | PP18 | Placental protein 18 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 44297.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_109874 |
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| Residue: | 392 |
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| Sequence: | MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPGPGEPLVFGKT
FTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRP
WLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSL
GVSQPTRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLV
QQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQS
LLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIP
TMENGPELILRFQKELKEIQYGIRAHEWMFPV
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| BDBM50118668 |
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| n/a |
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| Name | BDBM50118668 |
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| Synonyms: | CHEMBL3617086 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H16BrF2N5O |
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| Mol. Mass. | 436.253 |
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| SMILES | CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 |
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| Structure | 
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