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Target
Cathepsin S
Ligand
BDBM50221214
Substrate
n/a
Meas. Tech.
ChEMBL_449532 (CHEMBL899800)
IC50
39±n/a nM
Citation
 Wei, J; Pio, BA; Cai, H; Meduna, SP; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Pyrazole-based cathepsin S inhibitors with improved cellular potency. Bioorg Med Chem Lett 17:5525-8 (2007) [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:
BDBM50221214
Synonyms:
6-fluoro-3-(1-(3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide | CHEMBL238411
Type:
Small organic molecule
Emp. Form.:
C37H44F4N6O4S2
Mol. Mass.:
776.907
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)c1c(sc2cc(F)ccc12)C(=O)NCCN1CCOCC1)-c1ccc(cc1)C(F)(F)F
Structure:
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