Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50223936
Substrate
n/a
Meas. Tech.
ChEMBL_458258 (CHEMBL924504)
IC50
>1000±n/a nM
Citation
 Teno, N; Miyake, T; Ehara, T; Irie, O; Sakaki, J; Ohmori, O; Gunji, H; Matsuura, N; Masuya, K; Hitomi, Y; Nonomura, K; Horiuchi, M; Gohda, K; Iwasaki, A; Umemura, I; Tada, S; Kometani, M; Iwasaki, G; Cowan-Jacob, SW; Missbach, M; Lattmann, R; Betschart, C Novel scaffold for cathepsin K inhibitors. Bioorg Med Chem Lett 17:6096-100 (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:
BDBM50223936
Synonyms:
6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL249759
Type:
Small organic molecule
Emp. Form.:
C18H21N5O3
Mol. Mass.:
355.391
SMILES:
CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N
Structure:
Search PDB for entries with ligand similarity: