Reaction Details Report a problem with these data
Target
Presenilin-1
Ligand
BDBM50484973
Substrate
n/a
Meas. Tech.
ChEMBL_813314 (CHEMBL2019435)
IC50
1000±n/a nM
Citation
 Crump, CJ; am Ende, CW; Ballard, TE; Pozdnyakov, N; Pettersson, M; Chau, DM; Bales, KR; Li, YM; Johnson, DS Development of clickable active site-directed photoaffinity probes for ?-secretase. Bioorg Med Chem Lett 22:2997-3000 (2012) [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:
BDBM50484973
Synonyms:
CHEMBL2017498
Type:
Small organic molecule
Emp. Form.:
C54H60N4O6
Mol. Mass.:
861.0774
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(=O)c1ccccc1)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCC#C |r|
Structure:
Search PDB for entries with ligand similarity: