| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Ligand | BDBM50277545 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1502098 (CHEMBL3586973) |
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| IC50 | 490±n/a nM |
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| Citation |  Sells, TB; Chau, R; Ecsedy, JA; Gershman, RE; Hoar, K; Huck, J; Janowick, DA; Kadambi, VJ; LeRoy, PJ; Stirling, M; Stroud, SG; Vos, TJ; Weatherhead, GS; Wysong, DR; Zhang, M; Balani, SK; Bolen, JB; Manfredi, MG; Claiborne, CF MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. ACS Med Chem Lett6:630-4 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Name: | Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Synonyms: | Benzodiazepine central | GABA A Benzodiazepine brain | GABA A Benzodiazepine liver | GABA receptor alpha-1 subunit | GABA(A) receptor subunit alpha-1 | GABA-A | GABA-A receptor | GABRA1 | GBRA1_HUMAN | Gamma-aminobutyric acid receptor subunit alpha (GABAA) | TBPS | agonist GABA site |
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| Type: | Protein |
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| Mol. Mass.: | 51817.35 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14867 |
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| Residue: | 456 |
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| Sequence: | MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPG
LGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASK
IWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHAC
PLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVM
TTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISA
RNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDP
LIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKID
RLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
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| BDBM50277545 |
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| n/a |
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| Name | BDBM50277545 |
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| Synonyms: | 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid | Alisertib | CHEMBL483158 | MLN8237 | US10092556, Example MLN8237 | US9346787, MLN8237 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H20ClFN4O4 |
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| Mol. Mass. | 518.924 |
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| SMILES | COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| |
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| Structure | 
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