Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM138502
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
3.5±n/a
Temperature
298.15±n/a K
IC50
10800±n/a nM
Comments
extracted
Citation
 Anderskewitz, R; Grauert, M; Grundl, M; Oost, T; Pautsch, A; Peters, S Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C US Patent  US8877775 Publication Date 11/4/2014 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM138502
Synonyms:
US8877775, 13 | US9073869, 13
Type:
Small organic molecule
Emp. Form.:
C23H26N4O3S
Mol. Mass.:
438.543
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:19.19,wD:15.16,(8.11,-3,;7.34,-4.34,;8.67,-5.11,;6.57,-5.67,;6,-3.57,;4.67,-4.34,;3.33,-3.57,;3.33,-2.03,;4.67,-1.26,;6,-2.03,;2,-1.26,;.67,-2.03,;-.67,-1.26,;-.67,.28,;-2,1.05,;-2,2.59,;-3.33,3.36,;-4.67,2.59,;-4.67,1.05,;-6,3.36,;-7.34,2.59,;-8.67,3.36,;-8.67,4.9,;-7.34,5.67,;-6,4.9,;-6.77,3.57,;-7.9,4.7,;-.67,3.36,;.67,4.13,;.67,1.05,;2,.28,)|
Structure:
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