Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19768
Substrate
n/a
Meas. Tech.
ChEMBL_325792 (CHEMBL862698)
Ki
34.7±n/a nM
Citation
 Palmer, JT; Bryant, C; Wang, DX; Davis, DE; Setti, EL; Rydzewski, RM; Venkatraman, S; Tian, ZQ; Burrill, LC; Mendonca, RV; Springman, E; McCarter, J; Chung, T; Cheung, H; Janc, JW; McGrath, M; Somoza, JR; Enriquez, P; Yu, ZW; Strickley, RM; Liu, L; Venuti, MC; Percival, MD; Falgueyret, JP; Prasit, P; Oballa, R; Riendeau, D; Young, RN; Wesolowski, G; Rodan, SB; Johnson, C; Kimmel, DB; Rodan, G Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K. J Med Chem 48:7520-34 (2005) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM19768
Synonyms:
Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate | dipeptidyl nitrile, 1
Type:
Small organic molecule
Emp. Form.:
C16H21N3O3
Mol. Mass.:
303.3562
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
Structure:
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