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Target
Cathepsin S
Ligand
BDBM50321626
Substrate
n/a
Meas. Tech.
ChEMBL_639833 (CHEMBL1173848)
IC50
6700±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:
BDBM50321626
Synonyms:
CHEMBL1171504 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl)-4-fluorobenzamide | N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
Type:
Small organic molecule
Emp. Form.:
C34H33Cl2FN6O3
Mol. Mass.:
663.569
SMILES:
Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O
Structure:
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