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Target
Cathepsin S
Ligand
BDBM50331570
Substrate
n/a
Meas. Tech.
ChEMBL_687416 (CHEMBL1292092)
IC50
8.5±n/a nM
Citation
 Cai, J; Robinson, J; Belshaw, S; Everett, K; Fradera, X; van Zeeland, M; van Berkom, L; van Rijnsbergen, P; Popplestone, L; Baugh, M; Dempster, M; Bruin, J; Hamilton, W; Kinghorn, E; Westwood, P; Kerr, J; Rankovic, Z; Arbuckle, W; Bennett, DJ; Jones, PS; Long, C; Martin, I; Uitdehaag, JC; Meulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett 20:6890-4 (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:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50331570
Synonyms:
2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-dioxobutan-2-yl)-3-(trifluoromethyl)benzamide | CHEMBL1289304
Type:
Small organic molecule
Emp. Form.:
C16H14ClF3N4O3
Mol. Mass.:
402.756
SMILES:
CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
Structure:
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