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Target
5'-AMP-activated protein kinase catalytic subunit alpha-1
Ligand
BDBM50212270
Substrate
n/a
Meas. Tech.
ChEMBL_2072035 (CHEMBL4727569)
IC50
200±n/a nM
Citation
 Bigi-Botterill, SV; Ivetac, A; Bradshaw, EL; Cole, D; Dougan, DR; Ermolieff, J; Halkowycz, P; Johnson, B; McBride, C; Pickens, J; Sabat, M; Swann, S Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1
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
Type:
Protein
Mol. Mass.:
64023.62
Organism:
Homo sapiens (Human)
Description:
Q13131
Residue:
559
Sequence:
MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDGIFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMIDDEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDSFLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDIMAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTYSKMSLQLYQVDSRTYLLDFRSIDDEITEAKSGTATPQRSGSVSNYRSCQRSDSDAEAQGKSSEVSLTSSVTSLDSSPVDLTPRPGSHTIEFFEMCANLIKILAQ
  
Inhibitor
Name:
BDBM50212270
Synonyms:
CHEMBL3952214
Type:
Small organic molecule
Emp. Form.:
C18H17N5O
Mol. Mass.:
319.3605
SMILES:
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
Structure:
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