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Target
Cathepsin S
Ligand
BDBM50321620
Substrate
n/a
Meas. Tech.
ChEMBL_639834 (CHEMBL1173849)
IC50
1600±n/a nM
Citation
 Ameriks, MK; Bembenek, SD; Burdett, MT; Choong, IC; Edwards, JP; Gebauer, D; Gu, Y; Karlsson, L; Purkey, HE; Staker, BL; Sun, S; Thurmond, RL; Zhu, J Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors. Bioorg Med Chem Lett 20:4060-4 (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:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50321620
Synonyms:
CHEMBL1171313 | N-(2-chloro-5-(6-oxo-1-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)-1,6-dihydropyridazin-3-yl)benzyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C32H31ClF3N5O2
Mol. Mass.:
610.069
SMILES:
FC(F)(F)c1cccc(c1)N1CCN(CCCn2nc(ccc2=O)-c2ccc(Cl)c(CNC(=O)c3ccccc3)c2)CC1
Structure:
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