Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50182119
Substrate
n/a
Meas. Tech.
ChEMBL_347359 (CHEMBL865648)
IC50
1800±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:
BDBM50182119
Synonyms:
4-(1-(3-(3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one | CHEMBL205631
Type:
Small organic molecule
Emp. Form.:
C29H32F3N5O2
Mol. Mass.:
539.5919
SMILES:
FC(F)(F)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)N2C(=O)COc3ccccc23)c2CCNCc12
Structure:
Search PDB for entries with ligand similarity: