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Target
Cathepsin S
Ligand
BDBM50320062
Substrate
n/a
Meas. Tech.
ChEMBL_635108 (CHEMBL1119418)
IC50
49.2±n/a nM
Citation
 Chen, JC; Uang, BJ; Lyu, PC; Chang, JY; Liu, KJ; Kuo, CC; Hsieh, HP; Wang, HC; Cheng, CS; Chang, YH; Chang, MD; Chang, WS; Lin, CC Design and synthesis of alpha-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis. J Med Chem 53:4545-9 (2010) [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:
BDBM50320062
Synonyms:
CHEMBL1085967 | methyl 4-((2S)-1-(1-(benzyloxy)-4-(2-ethoxy-2-oxoethylamino)-3,4-dioxobutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylcarbamoyl)-2-(tert-butoxycarbonylamino)benzoate
Type:
Small organic molecule
Emp. Form.:
C38H50N4O11
Mol. Mass.:
738.8238
SMILES:
CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C(=O)OC)c(NC(=O)OC(C)(C)C)c1 |r|
Structure:
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