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Target
Presenilin-1
Ligand
BDBM50480065
Substrate
n/a
Meas. Tech.
ChEMBL_523678 (CHEMBL997193)
IC50
0.080000±n/a nM
Citation
 Keown, LE; Collins, I; Cooper, LC; Harrison, T; Madin, A; Mistry, J; Reilly, M; Shaimi, M; Welch, CJ; Clarke, EE; Lewis, HD; Wrigley, JD; Best, JD; Murray, F; Shearman, MS Novel orally bioavailable gamma-secretase inhibitors with excellent in vivo activity. J Med Chem 52:3441-4 (2009) [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:
BDBM50480065
Synonyms:
CHEMBL495185
Type:
Small organic molecule
Emp. Form.:
C25H24ClF3N4O2S
Mol. Mass.:
536.997
SMILES:
[H][C@]12CC[C@]([H])(Cc3cc(ccc3C1)-c1cn(cn1)-c1ccc(Cl)cc1)[C@@]21CN(CC(F)(F)F)S(=O)(=O)N1 |r|
Structure:
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