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Target
Cathepsin K
Ligand
BDBM50336092
Substrate
n/a
Meas. Tech.
ChEMBL_718115 (CHEMBL1671568)
IC50
1.9±n/a nM
Citation
 Isabel, E; Mellon, C; Boyd, MJ; Chauret, N; Deschênes, D; Desmarais, S; Falgueyret, JP; Gauthier, JY; Khougaz, K; Lau, CK; Léger, S; Levorse, DA; Li, CS; Massé, F; Percival, MD; Roy, B; Scheigetz, J; Thérien, M; Truong, VL; Wesolowski, G; Young, RN; Zamboni, R; Black, WC Difluoroethylamines as an amide isostere in inhibitors of cathepsin K. Bioorg Med Chem Lett 21:920-3 (2011) [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:
BDBM50336092
Synonyms:
(2S)-N-(1-cyanocyclopropyl)-2-((1S)-2,2-difluoro-1-(4'-(2,2,2-trifluoro-1-hydroxyethyl)biphenyl-4-yl)ethylamino)-4-methylpentanamide | CHEMBL1669439
Type:
Small organic molecule
Emp. Form.:
C26H28F5N3O2
Mol. Mass.:
509.5114
SMILES:
CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)C(O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Structure:
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