Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50328039
Substrate
n/a
Meas. Tech.
ChEMBL_665268 (CHEMBL1260849)
IC50
276±n/a nM
Citation
 Probst, GD; Bowers, S; Sealy, JM; Stupi, B; Dressen, D; Jagodzinska, BM; Aquino, J; Gailunas, A; Truong, AP; Tso, L; Xu, YZ; Hom, RK; John, V; Tung, JS; Pleiss, MA; Tucker, JA; Konradi, AW; Sham, HL; Jagodzinski, J; Toth, G; Brecht, E; Yao, N; Pan, H; Lin, M; Artis, DR; Ruslim, L; Bova, MP; Sinha, S; Yednock, TA; Gauby, S; Zmolek, W; Quinn, KP; Sauer, JM Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett 20:6034-9 (2010) [PubMed]  Article 
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:
BDBM50328039
Synonyms:
CHEMBL1258575 | N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(4-ethynylthiophen-2-yl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C24H28F2N2O2S
Mol. Mass.:
446.553
SMILES:
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C |r|
Structure:
Search PDB for entries with ligand similarity: