Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50323262
Substrate
n/a
Meas. Tech.
ChEMBL_643890 (CHEMBL1211789)
IC50
513±n/a nM
Citation
 Cai, J; Baugh, M; Black, D; Long, C; Jonathan Bennett, D; Dempster, M; Fradera, X; Gillespie, J; Andrews, F; Boucharens, S; Bruin, J; Cameron, KS; Cumming, I; Hamilton, W; Jones, PS; Kaptein, A; Kinghorn, E; Maidment, M; Martin, I; Mitchell, A; Rankovic, Z; Robinson, J; Scullion, P; Uitdehaag, JC; Vink, P; Westwood, P; van Zeeland, M; van Berkom, L; Bastiani, M; Meulemans, T 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorg Med Chem Lett 20:4350-4 (2010) [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:
BDBM50323262
Synonyms:
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile | CHEMBL1208906
Type:
Small organic molecule
Emp. Form.:
C23H24F3N5O2
Mol. Mass.:
459.4642
SMILES:
CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N
Structure:
Search PDB for entries with ligand similarity: