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Target
Beta-secretase 1
Ligand
BDBM50264181
Substrate
n/a
Meas. Tech.
ChEMBL_1698387 (CHEMBL4049277)
IC50
7.0±n/a nM
Citation
 Johansson, P; Kaspersson, K; Gurrell, IK; Bäck, E; Eketjäll, S; Scott, CW; Cebers, G; Thorne, P; McKenzie, MJ; Beaton, H; Davey, P; Kolmodin, K; Holenz, J; Duggan, ME; Budd Haeberlein, S; Bürli, RW Toward?-Secretase-1 Inhibitors with Improved Isoform Selectivity. J Med Chem 61:3491-3502 (2018) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50264181
Synonyms:
CHEMBL4065448
Type:
Small organic molecule
Emp. Form.:
C21H24N4O2
Mol. Mass.:
366.4532
SMILES:
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncnc1 |r,wU:7.7,wD:15.16,18.24,c:5,(10.49,-8.53,;12.03,-8.54,;11.27,-7.2,;13,-7.34,;14.44,-7.89,;15.73,-7.04,;14.37,-9.42,;12.88,-9.83,;11.4,-10.31,;10.06,-9.55,;8.73,-10.32,;8.73,-11.87,;10.06,-12.64,;11.4,-11.87,;12.87,-12.34,;13.78,-11.08,;14.86,-9.99,;16.35,-10.4,;16.75,-11.88,;15.66,-12.97,;14.18,-12.57,;18.23,-12.29,;18.63,-13.77,;7.4,-9.55,;7.4,-8.01,;6.07,-7.24,;4.74,-8.01,;4.74,-9.56,;6.07,-10.32,)|
Structure:
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