Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50221217
Substrate
n/a
Meas. Tech.
ChEMBL_449532 (CHEMBL899800)
IC50
95±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:
BDBM50221217
Synonyms:
1-(1-(3-(4-(5-chloro-1H-indol-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone | CHEMBL397152
Type:
Small organic molecule
Emp. Form.:
C31H33ClF3N5O2
Mol. Mass.:
600.074
SMILES:
CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccc(Cl)cc12)-c1ccc(cc1)C(F)(F)F |w:13.15|
Structure:
Search PDB for entries with ligand similarity: