Reaction Details Report a problem with these data
Target
Presenilin-1
Ligand
BDBM50485445
Substrate
n/a
Meas. Tech.
ChEMBL_829023 (CHEMBL2060673)
IC50
11±n/a nM
Citation
 Stepan, AF; Subramanyam, C; Efremov, IV; Dutra, JK; O'Sullivan, TJ; DiRico, KJ; McDonald, WS; Won, A; Dorff, PH; Nolan, CE; Becker, SL; Pustilnik, LR; Riddell, DR; Kauffman, GW; Kormos, BL; Zhang, L; Lu, Y; Capetta, SH; Green, ME; Karki, K; Sibley, E; Atchison, KP; Hallgren, AJ; Oborski, CE; Robshaw, AE; Sneed, B; O'Donnell, CJ Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active ?-secretase inhibitor. J Med Chem 55:3414-24 (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:
Human
Description:
P49768
Residue:
467
Sequence:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSRQVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTEDTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFIYLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKYLPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAEGDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAAVQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCLTLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
  
Inhibitor
Name:
BDBM50485445
Synonyms:
CHEMBL2059818
Type:
Small organic molecule
Emp. Form.:
C16H19ClF3N3O3S
Mol. Mass.:
425.854
SMILES:
NC(=O)[C@@H](CCC(F)(F)F)N(CCCCC#N)S(=O)(=O)c1ccc(Cl)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: