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Target
Cathepsin K
Ligand
BDBM50323088
Substrate
n/a
Meas. Tech.
ChEMBL_643702 (CHEMBL1212566)
IC50
282±n/a nM
Citation
 Cai, J; Bennett, DJ; Rankovic, Z; Dempster, M; Fradera, X; Gillespie, J; Cumming, I; Finlay, W; Baugh, M; Boucharens, S; Bruin, J; Cameron, KS; Hamilton, W; Kerr, J; Kinghorn, E; McGarry, G; Robinson, J; Scullion, P; Uitdehaag, JC; van Zeeland, M; Potin, D; Saniere, L; Fouquet, A; Chevallier, F; Deronzier, H; Dorleans, C; Nicolai, E 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. Bioorg Med Chem Lett 20:4447-50 (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:
BDBM50323088
Synonyms:
2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile | CHEMBL1209533
Type:
Small organic molecule
Emp. Form.:
C17H14F3N5O2
Mol. Mass.:
377.3206
SMILES:
CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1
Structure:
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