Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19740
Substrate
BDBM19963
Meas. Tech.
Enzyme Inhibition Assay
IC50
1.8±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:
BDBM19740
Synonyms:
2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H33N7O
Mol. Mass.:
435.5651
SMILES:
CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
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: