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Target
Cathepsin S
Ligand
BDBM50349206
Substrate
n/a
Meas. Tech.
ChEMBL_759683 (CHEMBL1811516)
IC50
1.5±n/a nM
Citation
 Kerns, JK; Nie, H; Bondinell, W; Widdowson, KL; Yamashita, DS; Rahman, A; Podolin, PL; Carpenter, DC; Jin, Q; Riflade, B; Dong, X; Nevins, N; Keller, PM; Mitchell, L; Tomaszek, T Azepanone-based inhibitors of human cathepsin S: optimization of selectivity via the P2 substituent. Bioorg Med Chem Lett 21:4409-15 (2011) [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:
BDBM50349206
Synonyms:
CHEMBL1807702
Type:
Small organic molecule
Emp. Form.:
C29H43N5O6S
Mol. Mass.:
589.747
SMILES:
C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Structure:
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