Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50444318
Substrate
n/a
Meas. Tech.
ChEMBL_1278248 (CHEMBL3096507)
IC50
1.000000±n/a nM
Citation
 Hilpert, H; Mauser, H; Humm, R; Anselm, L; Kuehne, H; Hartmann, G; Gruener, S; Banner, DW; Benz, J; Gsell, B; Kuglstatter, A; Stihle, M; Thoma, R; Sanchez, RA; Iding, H; Wirz, B; Haap, W Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J Med Chem 56:9789-801 (2014) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_MOUSE | Cats | Ctss
Type:
Enzyme
Mol. Mass.:
38476.67
Organism:
Mus musculus (Mouse)
Description:
O70370
Residue:
340
Sequence:
MRAPGHAAIRWLFWMPLVCSVAMEQLQRDPTLDYHWDLWKKTHEKEYKDKNEEEVRRLIWEKNLKFIMIHNLEYSMGMHTYQVGMNDMGDMTNEEILCRMGALRIPRQSPKTVTFRSYSNRTLPDTVDWREKGCVTEVKYQGSCGACWAFSAVGALEGQLKLKTGKLISLSAQNLVDCSNEEKYGNKGCGGGYMTEAFQYIIDNGGIEADASYPYKATDEKCHYNSKNRAATCSRYIQLPFGDEDALKEAVATKGPVSVGIDASHSSFFFYKSGVYDDPSCTGNVNHGVLVVGYGTLDGKDYWLVKNSWGLNFGDQGYIRMARNNKNHCGIASYCSYPEI
  
Inhibitor
Name:
BDBM50444318
Synonyms:
CHEMBL3093940
Type:
Small organic molecule
Emp. Form.:
C19H23N3O5S
Mol. Mass.:
405.468
SMILES:
O=C(NCC#N)[C@@H]1C[C@H](C[C@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: