Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 beta
Ligand
BDBM439225
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
EC50
434±n/a nM
Citation
 KC, SK; Mittapalli, GK; Chiruta, C; Hofilena, BJ; Mak, CC; Eastman, BW; Bollu, V 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof US Patent  US10604514 Publication Date 3/31/2020 
Target
Name:
Glycogen synthase kinase-3 beta
Synonyms:
GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B
Type:
Enzyme
Mol. Mass.:
46756.38
Organism:
Homo sapiens (Human)
Description:
P49841
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
  
Inhibitor
Name:
BDBM439225
Synonyms:
US10604514, Compound 102
Type:
Small organic molecule
Emp. Form.:
C26H31FN6O2
Mol. Mass.:
478.5617
SMILES:
CN1CCN(CC1)C(=O)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1 |r,wU:9.9,(11.19,-.38,;9.85,.38,;8.52,-.38,;7.19,.38,;7.19,1.93,;8.52,2.69,;9.85,1.93,;5.85,2.69,;5.85,4.23,;4.52,1.93,;4.52,.38,;3.19,-.38,;1.85,.38,;1.85,1.93,;3.19,2.69,;.52,-.38,;.52,-1.93,;-.82,.38,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.15,.38,;-7.48,-.38,;-7.48,-1.93,;-6.15,-2.69,;-6.15,-4.23,;-4.82,-1.93,;-3.48,-2.69,;-2.15,-1.93,;-8.82,.38,;-10.28,-.09,;-11.19,1.15,;-10.28,2.4,;-11.05,3.73,;-8.82,1.93,)|
Structure:
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