Reaction Details Report a problem with these data
Target
Presenilin-1
Ligand
BDBM50484306
Substrate
n/a
Meas. Tech.
ChEMBL_772762 (CHEMBL1837501)
IC50
7.0±n/a nM
Citation
 Aubele, DL; Truong, AP; Dressen, DB; Probst, GD; Bowers, S; Mattson, MN; Semko, CM; Sun, M; Garofalo, AW; Konradi, AW; Sham, HL; Zmolek, W; Wong, K; Goldbach, E; Quinn, KP; Sauer, JM; Brigham, EF; Wallace, W; Nguyen, L; Bova, MP; Hemphill, SS; Basi, G Design, synthesis and structure-activity relationship of novel [3.3.1] bicyclic sulfonamide-pyrazoles as potent ?-secretase inhibitors. Bioorg Med Chem Lett 21:5791-4 (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:
BDBM50484306
Synonyms:
CHEMBL1837060
Type:
Small organic molecule
Emp. Form.:
C19H15F6N5O2S2
Mol. Mass.:
523.475
SMILES:
FC(F)(F)c1csc(n1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:21:20:10.19.9:12.17.13|
Structure:
Search PDB for entries with ligand similarity: