Reaction Details
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Presenilin-1
Ligand
BDBM50482058
Substrate
n/a
Meas. Tech.
ChEMBL_626134 (CHEMBL1116097)
IC50
9200±n/a nM
Citation
Rivkin, A; Ahearn, SP; Chichetti, SM; Hamblett, CL; Garcia, Y; Martinez, M; Hubbs, JL; Reutershan, MH; Daniels, MH; Siliphaivanh, P; Otte, KM; Li, C; Rosenau, A; Surdi, LM; Jung, J; Hughes, BL; Crispino, JL; Nikov, GN; Middleton, RE; Moxham, CM; Szewczak, AA; Shah, S; Moy, LY; Kenific, CM; Tanga, F; Cruz, JC; Andrade, P; Angagaw, MH; Shomer, NH; Miller, T; Munoz, B; Shearman, MS Purine derivatives as potent gamma-secretase modulators. Bioorg Med Chem Lett 20:2279-82 (2010) [PubMed] Article More Info.:
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:
BDBM50482058
Synonyms:
CHEMBL1091563
Type:
Small organic molecule
Emp. Form.:
C31H41N7O
Mol. Mass.:
527.7035
SMILES:
COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)c2n(C)c(C)nc2n1
Structure:
