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Target
Cathepsin S
Ligand
BDBM50182115
Substrate
n/a
Meas. Tech.
ChEMBL_347359 (CHEMBL865648)
IC50
163±n/a nM
Citation
 Grice, CA; Tays, K; Khatuya, H; Gustin, DJ; Butler, CR; Wei, J; Sehon, CA; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors. Bioorg Med Chem Lett 16:2209-12 (2006) [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:
BDBM50182115
Synonyms:
1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)benzo[e][1,4]oxazepin-2(1H,3H,5H)-one | CHEMBL207003
Type:
Small organic molecule
Emp. Form.:
C31H36F3N5O5S
Mol. Mass.:
647.708
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccccc2COCC1=O)-c1ccc(cc1)C(F)(F)F
Structure:
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