Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM41309
Substrate
n/a
Meas. Tech.
Cathepsin S dose-response confirmation
IC50
15234±525.973 nM
Citation
 PubChem, PC Cathepsin S dose-response confirmation PubChem Bioassay (2008)[AID] 
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:
BDBM41309
Synonyms:
3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-yl-purine-2,6-dione | 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-ylpurine-2,6-dione | 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(1-piperidinyl)purine-2,6-dione | 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-piperidino-xanthine | MLS000083984 | SMR000048739 | cid_667409
Type:
Small organic molecule
Emp. Form.:
C17H23N7O2S2
Mol. Mass.:
421.54
SMILES:
Cc1nnc(SCCCn2c(nc3n(C)c(=O)[nH]c(=O)c23)N2CCCCC2)s1
Structure:
Search PDB for entries with ligand similarity: