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Target
Presenilin-1
Ligand
BDBM50562040
Substrate
n/a
Meas. Tech.
ChEMBL_2076903 (CHEMBL4732694)
IC50
17±n/a nM
Citation
 Ratni, H; Baumann, K; Bellotti, P; Cook, XA; Green, LG; Luebbers, T; Reutlinger, M; Stepan, AF; Vifian, W Phenyl bioisosteres in medicinal chemistry: discovery of novel ?-secretase modulators as a potential treatment for Alzheimer's disease. RSC Med Chem 12:758-766 (2021) [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:
BDBM50562040
Synonyms:
CHEMBL4761736
Type:
Small organic molecule
Emp. Form.:
C25H28F3N7
Mol. Mass.:
483.5319
SMILES:
Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1F |r,TLB:3:7:14:10.11|
Structure:
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