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Target
Cathepsin K
Ligand
BDBM50113676
Substrate
n/a
Meas. Tech.
ChEMBL_340219 (CHEMBL865586)
IC50
90±n/a nM
Citation
 Shinozuka, T; Shimada, K; Matsui, S; Yamane, T; Ama, M; Fukuda, T; Taki, M; Naito, S 4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors. Bioorg Med Chem Lett 16:1502-5 (2006) [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:
BDBM50113676
Synonyms:
(S)-benzyl 1-(2-(4-methoxyphenylamino)ethylamino)-4-methyl-1-oxopentan-2-ylcarbamate | CHEMBL60242 | {(S)-1-[2-(4-Methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester | {1-[2-(4-Methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C23H31N3O4
Mol. Mass.:
413.5099
SMILES:
COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Structure:
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