Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19858
Substrate
BDBM19490
Meas. Tech.
Enzyme Inhibition Assay and Whole Cell Enzyme Occupancy Assay
pH
6.5±n/a
Temperature
295.15±n/a K
IC50
52000±6000 nM
EC50
4800±2600 nM
Citation
Falgueyret, JP; Desmarais, S; Oballa, R; Black, WC; Cromlish, W; Khougaz, K; Lamontagne, S; Massé, F; Riendeau, D; Toulmond, S; Percival, MD Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. J Med Chem 48:7535-43 (2005) [PubMed] Article
More Info.:
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Inhibitor
Name:
BDBM19858
Synonyms:
N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpholin-4-yl)benzamide | aryl-morpholino-containing analogue, 13
Type:
Small organic molecule
Emp. Form.:
C20H26N4O3
Mol. Mass.:
370.4454
SMILES:
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1