Target
Cathepsin K
Ligand
BDBM50390392
Substrate
n/a
Meas. Tech.
ChEMBL_834955 (CHEMBL2073365)
IC50
10±n/a nM
Citation
 Dossetter, AGBowyer, JCook, CRCrawford, JJFinlayson, JEHeron, NMHeyes, CHighton, AJHudson, JAJestel, AKrapp, SMacFaul, PAMcGuire, TMMorley, ADMorris, JJPage, KMRibeiro, LRSawney, HSteinbacher, SSmith, C Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition. Bioorg Med Chem Lett 22:5563-8 (2012) [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:
BDBM50390392
Synonyms:
CHEMBL2070942
Type:
Small organic molecule
Emp. Form.:
C23H33N5O2S
Mol. Mass.:
443.605
SMILES:
CC(C)(C)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Structure:
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