Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19744
Substrate
BDBM19963
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.51±n/a nM
Citation
 Altmann, E; Aichholz, R; Betschart, C; Buhl, T; Green, J; Irie, O; Teno, N; Lattmann, R; Tintelnot-Blomley, M; Missbach, M 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem 50:591-4 (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:
BDBM19744
Synonyms:
2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{3-[2-(1H-imidazol-1-yl)ethoxy]phenyl}ethyl)pyrimidine-5-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H29N7O2
Mol. Mass.:
447.5328
SMILES:
CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19963
Synonyms:
Cbz-Leu-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: