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Target
Cathepsin K
Ligand
BDBM50328898
Substrate
n/a
Meas. Tech.
ChEMBL_673957 (CHEMBL1275134)
IC50
13±n/a nM
Citation
 Rankovic, Z; Cai, J; Kerr, J; Fradera, X; Robinson, J; Mistry, A; Finlay, W; McGarry, G; Andrews, F; Caulfield, W; Cumming, I; Dempster, M; Waller, J; Arbuckle, W; Anderson, M; Martin, I; Mitchell, A; Long, C; Baugh, M; Westwood, P; Kinghorn, E; Jones, P; Uitdehaag, JC; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg Med Chem Lett 20:6237-41 (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:
BDBM50328898
Synonyms:
(S)-4-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)propyl)morpholine-3-carboxamide | CHEMBL1270462
Type:
Small organic molecule
Emp. Form.:
C20H20F3N5O2
Mol. Mass.:
419.4003
SMILES:
NC(=O)[C@@H]1COCCN1CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F |r|
Structure:
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