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Target
Cathepsin S
Ligand
BDBM50313476
Substrate
n/a
Meas. Tech.
ChEMBL_617378 (CHEMBL1101889)
IC50
23±n/a nM
Citation
 Rankovic, Z; Cai, J; Kerr, J; Fradera, X; Robinson, J; Mistry, A; Hamilton, E; McGarry, G; Andrews, F; Caulfield, W; Cumming, I; Dempster, M; Waller, J; Scullion, P; Martin, I; Mitchell, A; Long, C; Baugh, M; Westwood, P; Kinghorn, E; Bruin, J; Hamilton, W; Uitdehaag, J; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg Med Chem Lett 20:1524-7 (2010) [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:
BDBM50313476
Synonyms:
4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile | CHEMBL1084400
Type:
Small organic molecule
Emp. Form.:
C20H21F3N4
Mol. Mass.:
374.4027
SMILES:
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N
Structure:
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