Reaction Details  Report a problem with these data
Target
Presenilin-1
Ligand
BDBM50483747
Substrate
n/a
Meas. Tech.
ChEMBL_745100 (CHEMBL1772226)
IC50
3.6±n/a nM
Citation
 Brodney, MA; Auperin, DD; Becker, SL; Bronk, BS; Brown, TM; Coffman, KJ; Finley, JE; Hicks, CD; Karmilowicz, MJ; Lanz, TA; Liston, D; Liu, X; Martin, BA; Nelson, RB; Nolan, CE; Oborski, CE; Parker, CP; Richter, KE; Pozdnyakov, N; Sahagan, BG; Schachter, JB; Sokolowski, SA; Tate, B; Van Deusen, JW; Wood, DE; Wood, KM Diamide amino-imidazoles: a novel series of ?-secretase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett 21:2631-6 (2011) [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:
BDBM50483747
Synonyms:
CHEMBL1770883
Type:
Small organic molecule
Emp. Form.:
C21H28F2N4O3
Mol. Mass.:
422.4688
SMILES:
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CCO |r|
Structure:
Search PDB for entries with ligand similarity: