Reaction Details
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Beta-secretase 2
Ligand
BDBM16751
Substrate
n/a
Meas. Tech.
ChEMBL_462008 (CHEMBL944851)
IC50
>50000±n/a nM
Citation
Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg Med Chem Lett 18:1063-6 (2008) [PubMed] Article More Info.:
Target
Name:
Beta-secretase 2
Synonyms:
AEPLC | ALP56 | ASP1 | ASP21 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | BACE2 | BACE2_HUMAN | Beta secretase 2 | Beta-secretase (BACE) | Beta-secretase 2 | Beta-secretase 2 (BACE-2) | Beta-secretase 2 precursor | Beta-site APP-cleaving enzyme 2 | Down region aspartic protease | Memapsin-1 | Membrane-associated aspartic protease 1 | beta-Secretase (BACE-2)
Type:
Protein
Mol. Mass.:
56171.20
Organism:
Homo sapiens (Human)
Description:
Q9Y5Z0
Residue:
518
Sequence:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
Inhibitor
Name:
BDBM16751
Synonyms:
(N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-acetamide) | Acylguanidine, 7a | CHEMBL217068 | N-(diaminomethylidene)-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C19H18N4O
Mol. Mass.:
318.3724
SMILES:
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
Structure:
