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Target
Cathepsin S
Ligand
BDBM50223929
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:
BDBM50223929
Synonyms:
7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7Hpyrrolo[2,3-d]pyrimidine-2-carbonitrile | 7-(2,2-dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL249965
Type:
Small organic molecule
Emp. Form.:
C21H27N7O2
Mol. Mass.:
409.4848
SMILES:
CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Structure:
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