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Target
Amyloid-beta precursor protein
Ligand
BDBM50393104
Substrate
n/a
Meas. Tech.
sAPPbeta Release Assay
IC50
0.720±n/a nM
Citation
 Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent  US10231967 Publication Date 3/19/2019 
Target
Name:
Amyloid-beta precursor protein
Synonyms:
A4 | A4_HUMAN | ABPP | AD1 | AICD-50 | AICD-57 | AICD-59 | AID(50) | AID(57) | AID(59) | APP | APPI | Alzheimer disease amyloid protein | Amyloid beta A4 protein | Amyloid beta Protein | Amyloid beta protein (sAPPbeta) | Amyloid beta protein Abeta(1-42) | Amyloid intracellular domain 50 | Amyloid intracellular domain 57 | Amyloid intracellular domain 59 | Amyloid protein (Abeta42b) | Amyloid β-protein (Aβ42) | Beta amyloid A4 protein | Beta-APP40 | Beta-APP42 | Beta-amyloid protein 40 | Beta-amyloid protein 42 | C31 | C83 | C99 | CVAP | Cerebral vascular amyloid peptide | Gamma Secretase | Gamma-CTF(50) | Gamma-CTF(57) | Gamma-CTF(59) | Gamma-secretase | Gamma-secretase C-terminal fragment 50 | Gamma-secretase C-terminal fragment 57 | Gamma-secretase C-terminal fragment 59 | P3(40) | P3(42) | PN-II | PreA4 | Protease nexin-II | S-APP-alpha | S-APP-beta | Soluble APP-alpha | Soluble APP-beta | beta-Amyloid Precursor Protein (APP)
Type:
Single-pass type I membrane protein
Mol. Mass.:
86890.41
Organism:
Homo sapiens (Human)
Description:
P05067
Residue:
770
Sequence:
MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN
  
Inhibitor
Name:
BDBM50393104
Synonyms:
CHEMBL2152918 | US10231967, Example 20aa | US9918985, Example 20aa
Type:
Small organic molecule
Emp. Form.:
C23H25BrN4O
Mol. Mass.:
453.375
SMILES:
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(44.87,-11.75,;44.11,-10.41,;42.57,-10.39,;41.81,-9.06,;40.27,-9.04,;39.5,-10.37,;38.6,-11.63,;37.13,-11.16,;35.79,-11.94,;34.46,-11.17,;34.46,-9.62,;35.79,-8.85,;37.12,-9.61,;38.59,-9.13,;37.67,-7.89,;38.56,-6.64,;38.07,-5.18,;40.04,-7.1,;41.27,-6.18,;40.05,-8.64,;33.13,-8.85,;33.13,-7.31,;31.8,-6.54,;30.47,-7.31,;30.47,-8.86,;29.14,-9.63,;31.8,-9.62,;40.26,-11.71,;41.8,-11.71,)|
Structure:
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