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Target
Cathepsin S
Ligand
BDBM50263510
Substrate
n/a
Meas. Tech.
ChEMBL_535680 (CHEMBL988834)
IC50
31±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:
BDBM50263510
Synonyms:
4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cyano-N-methyl-6-((1-methylpiperidin-4-yl)methoxy)pyrimidine-5-carboxamide | CHEMBL513921
Type:
Small organic molecule
Emp. Form.:
C23H34N6O4
Mol. Mass.:
458.5539
SMILES:
CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N
Structure:
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