Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19525
Substrate
BDBM19490
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
295.15±n/a K
IC50
278±n/a nM
Citation
Li, CS; Deschenes, D; Desmarais, S; Falgueyret, JP; Gauthier, JY; Kimmel, DB; Léger, S; Massé, F; McGrath, ME; McKay, DJ; Percival, MD; Riendeau, D; Rodan, SB; Thérien, M; Truong, VL; Wesolowski, G; Zamboni, R; Black, WC Identification of a potent and selective non-basic cathepsin K inhibitor. Bioorg Med Chem Lett 16:1985-9 (2006) [PubMed] Article
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Inhibitor
Name:
BDBM19525
Synonyms:
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide | trifluoroethylamine analogue, 14
Type:
Small organic molecule
Emp. Form.:
C22H23F4N3O
Mol. Mass.:
421.4311
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(F)c1)C(F)(F)F)C(=O)NCC#N |r|