Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM315306
Substrate
n/a
Meas. Tech.
Cathepsin Enzyme Inhibition Assay
IC50
77.0±n/a nM
Citation
 Haap, W; Kuehne, H; Mauser, H Piperidine derivatives US Patent  US10172843 Publication Date 1/8/2019 
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:
BDBM315306
Synonyms:
3-{1-[2-(3-Chloro-4- trifluoromethyl-phenyl)- 5-methyl-1H-imidazol-4- ylmethyl]-piperidin-4- yl}-3,4-dihydro-1H- quinazolin-2-one | US10172843, Example 40
Type:
Small organic molecule
Emp. Form.:
C25H25ClF3N5O
Mol. Mass.:
503.947
SMILES:
Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(c(Cl)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: