Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50139490
Substrate
n/a
Meas. Tech.
ChEBML_45550
IC50
0.710000±n/a nM
Citation
Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, LR; Payne, JA; Wells-Knecht, KJ; Wright, LL Design of small molecule ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 14:719-22 (2004) [PubMed] Article
More Info.:
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Human
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM50139490
Synonyms:
2,2,4,4-tetramethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL354473 | [(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-tert-butyl-2,2-dimethyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C25H40N2O4
Mol. Mass.:
432.5961
SMILES:
CCCC[C@H](NC(=O)OC(C(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1