| Reaction Details |
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 | Report a problem with these data |
| Target | 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 |
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| Ligand | BDBM237923 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1673933 (CHEMBL4023962) |
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| EC50 | 52±n/a nM |
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| Citation |  Edmonds, DJ; Kung, DW; Kalgutkar, AS; Filipski, KJ; Ebner, DC; Cabral, S; Smith, AC; Aspnes, GE; Bhattacharya, SK; Borzilleri, KA; Brown, JA; Calabrese, MF; Caspers, NL; Cokorinos, EC; Conn, EL; Dowling, MS; Eng, H; Feng, B; Fernando, DP; Genung, NE; Herr, M; Kurumbail, RG; Lavergne, SY; Lee, EC; Li, Q; Mathialagan, S; Miller, RA; Panteleev, J; Polivkova, J; Rajamohan, F; Reyes, AR; Salatto, CT; Shavnya, A; Thuma, BA; Tu, M; Ward, J; Withka, JM; Xiao, J; Cameron, KO Optimization of Metabolic and Renal Clearance in a Series of Indole Acid Direct Activators of 5'-Adenosine Monophosphate-Activated Protein Kinase (AMPK). J Med Chem61:2372-2383 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 |
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| Name: | 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 |
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| Synonyms: | 5'-AMP-activated protein kinase Complex 1 | 5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | AMPK alpha1/beta1/gamma1 | AMPK complex 1 (alpha-1,beta-1,gamma-1) | Adenosine monophosphate-activated protein kinase (AMPK gamma 1, beta 1 and alpha 1) | Recombinant AMPK alpha1/beta1/gamma1 complex |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 0 components. |
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| Component 1 |
| Name: | 5'-AMP-activated protein kinase subunit beta-1 |
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| Synonyms: | 5'-AMP-activated protein kinase subunit beta-1 | AAKB1_HUMAN | AMP-activated protein kinase alpha-2/beta-1/gamma-3 | AMPK | AMPK subunit beta-1 | AMPKb | PRKAB1 |
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| Type: | n/a |
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| Mol. Mass.: | 30380.94 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9Y478 |
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| Residue: | 270 |
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| Sequence: | MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEF
LAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPE
GEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELS
SSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLY
ALSIKDGVMVLSATHRYKKKYVTTLLYKPI
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| Component 2 |
| Name: | 5'-AMP-activated protein kinase subunit gamma-1 |
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| Synonyms: | 5'-AMP-activated protein kinase subunit gamma-1 | AAKG1_HUMAN | AMP-activated protein kinase, gamma-1 subunit | AMPK alpha2/beta2/gamma1 | AMPK gamma-1 | AMPK gamma1 | AMPK subunit gamma-1 | AMPKg | PRKAG1 |
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| Type: | n/a |
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| Mol. Mass.: | 37581.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P54619 |
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| Residue: | 331 |
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| Sequence: | METVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKA
FFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREV
YLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFI
TEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDI
YSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRL
VVVDENDVVKGIVSLSDILQALVLTGGEKKP
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| Component 3 |
| Name: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 |
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| Synonyms: | AAPK1_HUMAN | ACACA kinase | AMP-activated protein kinase alpha-1/beta-2/gamma-2 | AMP-activated protein kinase, alpha-1 subunit | AMPK subunit alpha-1 | AMPK-alpha1 | AMPK1 | Hydroxymethylglutaryl-CoA reductase kinase | PRKAA1 | Tau-protein kinase PRKAA1 |
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| Type: | Protein |
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| Mol. Mass.: | 64023.62 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q13131 |
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| Residue: | 559 |
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| Sequence: | MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNR
QKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNG
RLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEF
LRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDG
IFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMID
DEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDS
FLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDI
MAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTYSKMSLQLYQVDSRTYLLDFRSIDDE
ITEAKSGTATPQRSGSVSNYRSCQRSDSDAEAQGKSSEVSLTSSVTSLDSSPVDLTPRPG
SHTIEFFEMCANLIKILAQ
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| BDBM237923 |
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| n/a |
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| Name | BDBM237923 |
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| Synonyms: | US9394285, 4 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H16FNO3 |
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| Mol. Mass. | 325.3336 |
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| SMILES | OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1 |
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| Structure | 
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