Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50169496
Substrate
n/a
Meas. Tech.
ChEMBL_306560 (CHEMBL829135)
IC50
240±n/a nM
Citation
 Barrett, DG; Boncek, VM; Catalano, JG; Deaton, DN; Hassell, AM; Jurgensen, CH; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Payne, JA; Ray, JA; Samano, V; Shewchuk, LM; Tavares, FX; Wells-Knecht, KJ; Willard, DH; Wright, LL; Zhou, HQ P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett 15:3540-6 (2005) [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:
BDBM50169496
Synonyms:
(R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate | CHEMBL186778 | [(S)-1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-propyl ester
Type:
Small organic molecule
Emp. Form.:
C30H38N4O5
Mol. Mass.:
534.6465
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: