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Target
Cathepsin K
Ligand
BDBM50214540
Substrate
n/a
Meas. Tech.
ChEMBL_462245 (CHEMBL945079)
IC50
1.2±n/a nM
Citation
 Gauthier, JY; Chauret, N; Cromlish, W; Desmarais, S; Duong, le T; Falgueyret, JP; Kimmel, DB; Lamontagne, S; Léger, S; LeRiche, T; Li, CS; Massé, F; McKay, DJ; Nicoll-Griffith, DA; Oballa, RM; Palmer, JT; Percival, MD; Riendeau, D; Robichaud, J; Rodan, GA; Rodan, SB; Seto, C; Thérien, M; Truong, VL; Venuti, MC; Wesolowski, G; Young, RN; Zamboni, R; Black, WC The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K. Bioorg Med Chem Lett 18:923-8 (2008) [PubMed]  Article 
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:
BDBM50214540
Synonyms:
(S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanesulfonyl-biphenyl-4-yl)-ethylamino]-pentanoic acid ((S)-cyano-methyl-methyl)-amide | CHEMBL250294
Type:
Small organic molecule
Emp. Form.:
C24H28F3N3O3S
Mol. Mass.:
495.558
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](C)C#N
Structure:
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