Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM225131
Substrate
BDBM225228
Meas. Tech.
Inhibition Assay
IC50
2.3±n/a nM
Citation
 Nakajima, Y; Imada, S; Takasuna, Y; Aoyama, N; Nigawara, T; Shirakami, S; Shirai, F; Sato, J; Nakanishi, K; Kubo, K Nitrogen-containing bicyclic aromatic heterocyclic compound US Patent  US9328118 Publication Date 5/3/2016 
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:
BDBM225131
Synonyms:
US9328118, 32
Type:
Small organic molecule
Emp. Form.:
C25H25F3N8O2
Mol. Mass.:
526.5136
SMILES:
Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3nc(nc4n(C)cnc34)C#N)CC2)o1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM225228
Synonyms:
US9328118, VVR-AMC
Type:
Substrate
Emp. Form.:
C34H45N7O7
Mol. Mass.:
663.7638
SMILES:
CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: