Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50156084
Substrate
n/a
Meas. Tech.
ChEMBL_306474 (CHEMBL829552)
IC50
50±n/a nM
Citation
 Altmann, E; Cowan-Jacob, SW; Missbach, M Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K. J Med Chem 47:5833-6 (2004) [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:
BDBM50156084
Synonyms:
9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-benzyloxy}-phenylamino)-9H-purine-2-carbonitrile | CHEMBL189730
Type:
Small organic molecule
Emp. Form.:
C31H36N8O2
Mol. Mass.:
552.6699
SMILES:
CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1
Structure:
Search PDB for entries with ligand similarity: