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Target
Presenilin-1
Ligand
BDBM50478069
Substrate
n/a
Meas. Tech.
ChEMBL_466309 (CHEMBL947026)
IC50
140±n/a nM
Citation
 Kitas, EA; Galley, G; Jakob-Roetne, R; Flohr, A; Wostl, W; Mauser, H; Alker, AM; Czech, C; Ozmen, L; David-Pierson, P; Reinhardt, D; Jacobsen, H Substituted 2-oxo-azepane derivatives are potent, orally active gamma-secretase inhibitors. Bioorg Med Chem Lett 18:304-8 (2008) [PubMed]  Article 
Target
Name:
Presenilin-1
Synonyms:
3.4.23.- | AD3 | Gamma-Secretase Subunit Presenilin-1 | PS-1 | PS1 | PS1-CTF12 | PSEN1 | PSN1_HUMAN | PSNL1 | Presenilin-1 CTF subunit | Presenilin-1 CTF12 | Presenilin-1 NTF subunit | Protein S182
Type:
n/a
Mol. Mass.:
52657.13
Organism:
Homo sapiens (Human)
Description:
P49768
Residue:
467
Sequence:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSRQVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTEDTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFIYLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKYLPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAEGDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAAVQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCLTLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
  
Inhibitor
Name:
BDBM50478069
Synonyms:
CHEMBL3085385
Type:
Small organic molecule
Emp. Form.:
C22H25ClN2O5S
Mol. Mass.:
464.962
SMILES:
OC(=O)CCc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r|
Structure:
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