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Target
Cathepsin S
Ligand
BDBM50299202
Substrate
n/a
Meas. Tech.
ChEMBL_592355 (CHEMBL1048481)
IC50
120±n/a nM
Citation
 Ameriks, MK; Cai, H; Edwards, JP; Gebauer, D; Gleason, E; Gu, Y; Karlsson, L; Nguyen, S; Sun, S; Thurmond, RL; Zhu, J Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency. Bioorg Med Chem Lett 19:6135-9 (2009) [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:
BDBM50299202
Synonyms:
(S)-methyl 2-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)benzylamino)-2-phenylacetate | CHEMBL573658
Type:
Small organic molecule
Emp. Form.:
C38H42ClN5O5S
Mol. Mass.:
716.289
SMILES:
COC(=O)[C@@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1 |r|
Structure:
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