Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50323258
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
234±n/a nM
Citation
 Cai, J; Bennett, DJ; Jones, PS 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives US Patent  US9115126 Publication Date 8/25/2015 
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:
BDBM50323258
Synonyms:
6-(4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1208910 | US9115126, WO 2009/010491, Example 15
Type:
Small organic molecule
Emp. Form.:
C18H15F3N4O
Mol. Mass.:
360.3331
SMILES:
Cn1cnc2c(nc(cc12)-c1ccc(CCCO)c(c1)C(F)(F)F)C#N
Structure:
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