Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM372785
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic Cathepsin D (Cat D) FRET (Fluorescence Resonance Energy Transfer) Assay
IC50
16700±n/a nM
Citation
Allen, JR; Amegadzie, A; Bourbeau, MP; Brown, JA; Chen, N; Frohn, MJ; Liu, L; Liu, Q; Pettus, LH; Qian, W; Reeves, CM; Siegmund, AC Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use US Patent US10246429 Publication Date 4/2/2019
More Info.:
Target
Name:
Cathepsin D
Synonyms:
CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor
Type:
Enzyme
Mol. Mass.:
44551.72
Organism:
Homo sapiens (Human)
Description:
Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated.
Residue:
412
Sequence:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
Inhibitor
Name:
BDBM372785
Synonyms:
5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile | US10246429, Example 201
Type:
Small organic molecule
Emp. Form.:
C25H24F2N6OS
Mol. Mass.:
494.559
SMILES:
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|