Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50179545
Substrate
n/a
Meas. Tech.
ChEMBL_340219 (CHEMBL865586)
IC50
600±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:
BDBM50179545
Synonyms:
CHEMBL203176 | N-(2-(4-methoxyphenylamino)ethyl)-4-methyl-2-(4-phenoxyphenoxy)pentanamide
Type:
Small organic molecule
Emp. Form.:
C27H32N2O4
Mol. Mass.:
448.554
SMILES:
COc1ccc(NCCNC(=O)C(CC(C)C)Oc2ccc(Oc3ccccc3)cc2)cc1
Structure:
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