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Target
Cathepsin S
Ligand
BDBM50425894
Substrate
n/a
Meas. Tech.
ChEMBL_933994 (CHEMBL2318072)
IC50
40±n/a nM
Citation
 Wiener, JJ; Wickboldt, AT; Nguyen, S; Sun, S; Rynberg, R; Rizzolio, M; Karlsson, L; Edwards, JP; Grice, CA Pyrazole-based arylalkyne cathepsin S inhibitors. Part III: modification of P4 region. Bioorg Med Chem Lett 23:1070-4 (2013) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50425894
Synonyms:
CHEMBL2313001
Type:
Small organic molecule
Emp. Form.:
C42H43Cl2N7O
Mol. Mass.:
732.743
SMILES:
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
Structure:
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