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Target
Cathepsin K
Ligand
BDBM50313524
Substrate
n/a
Meas. Tech.
ChEMBL_617674 (CHEMBL1101470)
IC50
17±n/a nM
Citation
 Rankovic, Z; Cai, J; Fradera, X; Dempster, M; Mistry, A; Mitchell, A; Long, C; Hamilton, E; King, A; Boucharens, S; Jamieson, C; Gillespie, J; Cumming, I; Uitdehaag, J; van Zeeland, M Dioxo-triazines as a novel series of cathepsin K inhibitors. Bioorg Med Chem Lett 20:1488-90 (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:
BDBM50313524
Synonyms:
3,5-dioxo-4-(3-(piperidin-1-yl)propyl)-2-(3-(trifluoromethyl)phenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile | CHEMBL1084114
Type:
Small organic molecule
Emp. Form.:
C19H20F3N5O2
Mol. Mass.:
407.3896
SMILES:
FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCCCC2)c1=O
Structure:
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