Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50401834
Substrate
n/a
Meas. Tech.
ChEMBL_885155 (CHEMBL2213246)
IC50
0.6±n/a nM
Citation
 Moss, N; Xiong, Z; Burke, M; Cogan, D; Gao, DA; Haverty, K; Heim-Riether, A; Hickey, ER; Nagaraja, R; Netherton, M; O'Shea, K; Ramsden, P; Schwartz, R; Shih, DT; Ward, Y; Young, E; Zhang, Q Exploration of cathepsin S inhibitors characterized by a triazole P1-P2 amide replacement. Bioorg Med Chem Lett 22:7189-93 (2012) [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:
BDBM50401834
Synonyms:
CHEMBL2207571
Type:
Small organic molecule
Emp. Form.:
C17H21N5OS
Mol. Mass.:
343.447
SMILES:
C[C@H](C#N)n1cc(nn1)[C@@H](NC(=O)c1ccsc1)C1CCCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: