Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50182112
Substrate
n/a
Meas. Tech.
ChEMBL_347359 (CHEMBL865648)
IC50
900±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:
BDBM50182112
Synonyms:
CHEMBL206594 | tert-butyl 1-(3-(4-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)piperidin-1-yl)propyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
Type:
Small organic molecule
Emp. Form.:
C34H40F3N5O4
Mol. Mass.:
639.7077
SMILES:
CC(C)(C)OC(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: