Reaction Details Report a problem with these data
Target
Beta-secretase 2
Ligand
BDBM50324922
Substrate
n/a
Meas. Tech.
ChEMBL_651541 (CHEMBL1227793)
IC50
8000±n/a nM
Citation
 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg Med Chem Lett 20:5329-33 (2010) [PubMed]  Article 
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:
BDBM50324922
Synonyms:
(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide | (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)pentanamide | CHEMBL1222240
Type:
Small organic molecule
Emp. Form.:
C19H27ClN4O
Mol. Mass.:
362.897
SMILES:
CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: