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Target
Cathepsin S
Ligand
BDBM50322917
Substrate
n/a
Meas. Tech.
ChEMBL_643443 (CHEMBL1212307)
IC50
6±n/a nM
Citation
 Cai, J; Fradera, X; van Zeeland, M; Dempster, M; Cameron, KS; Bennett, DJ; Robinson, J; Popplestone, L; Baugh, M; Westwood, P; Bruin, J; Hamilton, W; Kinghorn, E; Long, C; Uitdehaag, JC 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg Med Chem Lett 20:4507-10 (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:
BDBM50322917
Synonyms:
4-(4-ethoxy-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile | CHEMBL1209450
Type:
Small organic molecule
Emp. Form.:
C17H16F3N3O
Mol. Mass.:
335.3236
SMILES:
CCCc1cc(nc(n1)C#N)-c1ccc(OCC)c(c1)C(F)(F)F
Structure:
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