Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19783
Substrate
BDBM19485
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
0.072±n/a nM
Citation
 Barrett, DG; Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Samano, V; Tavares, FX; Wells-Knecht, KJ; Wright, LL; Zhou, HQ Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett 17:22-7 (2007) [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:
BDBM19783
Synonyms:
(2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}butan-2-yl N-[(2S)-1-oxo-1-(1H-pyrazol-5-ylcarbamoyl)hexan-2-yl]carbamate | CHEMBL234367 | ketoamide, 2
Type:
Small organic molecule
Emp. Form.:
C27H33F3N6O4
Mol. Mass.:
562.5839
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19485
Synonyms:
Cbz-Phe-Arg-AMC | Fluorogenic substrate | Z-Phe-Arg-AMC.HCl
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: