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Target
Cathepsin S
Ligand
BDBM50263667
Substrate
n/a
Meas. Tech.
ChEMBL_535680 (CHEMBL988834)
IC50
6±n/a nM
Citation
 Irie, O; Kosaka, T; Kishida, M; Sakaki, J; Masuya, K; Konishi, K; Yokokawa, F; Ehara, T; Iwasaki, A; Iwaki, Y; Hitomi, Y; Toyao, A; Gunji, H; Teno, N; Iwasaki, G; Hirao, H; Kanazawa, T; Tanabe, K; Hiestand, PC; Malcangio, M; Fox, AJ; Bevan, SJ; Yaqoob, M; Culshaw, AJ; Hart, TW; Hallett, A Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2. Bioorg Med Chem Lett 18:5280-4 (2008) [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:
BDBM50263667
Synonyms:
2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]nonan-7-ylmethylamino)pyrimidine-5-carboxamide | CHEMBL477600
Type:
Small organic molecule
Emp. Form.:
C19H27N5O3
Mol. Mass.:
373.4494
SMILES:
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N
Structure:
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