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Target
Cathepsin S
Ligand
BDBM50273289
Substrate
n/a
Meas. Tech.
ChEMBL_509759 (CHEMBL997028)
IC50
1±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:
BDBM50273289
Synonyms:
2-Cyano-4-(1-methyl-piperidin-4-yloxy)-6-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid benzylamide | CHEMBL458482
Type:
Small organic molecule
Emp. Form.:
C28H36N6O2
Mol. Mass.:
488.6244
SMILES:
CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N
Structure:
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