Target
Cathepsin S
Ligand
BDBM50182089
Substrate
n/a
Meas. Tech.
ChEMBL_347359 (CHEMBL865648)
IC50
75±n/a nM
Citation
 Grice, CATays, KKhatuya, HGustin, DJButler, CRWei, JSehon, CASun, SGu, YJiang, WThurmond, RLKarlsson, LEdwards, 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:
BDBM50182089
Synonyms:
1-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(6-chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-1-yl)-piperidin-1-yl]-propan-2-ol | CHEMBL379770
Type:
Small organic molecule
Emp. Form.:
C28H34BrClN6O5S2
Mol. Mass.:
714.094
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: