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Target
Cathepsin S
Ligand
BDBM50273219
Substrate
n/a
Meas. Tech.
ChEMBL_509759 (CHEMBL997028)
IC50
24±n/a nM
Citation
 Irie, O; Yokokawa, F; Ehara, T; Iwasaki, A; Iwaki, Y; Hitomi, Y; Konishi, K; Kishida, M; Toyao, A; Masuya, K; Gunji, H; Sakaki, J; Iwasaki, G; Hirao, H; Kanazawa, T; Tanabe, K; Kosaka, T; Hart, TW; Hallett, A 4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett 18:4642-6 (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:
BDBM50273219
Synonyms:
2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid (4,5-dimethoxy-biphenyl-2-yl)-amide | CHEMBL456757
Type:
Small organic molecule
Emp. Form.:
C29H31N5O3
Mol. Mass.:
497.5881
SMILES:
COc1cc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(cc1OC)-c1ccccc1
Structure:
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