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Target
Cathepsin K
Ligand
BDBM50390390
Substrate
n/a
Meas. Tech.
ChEMBL_834955 (CHEMBL2073365)
IC50
25.12±n/a nM
Citation
 Dossetter, AG; Bowyer, J; Cook, CR; Crawford, JJ; Finlayson, JE; Heron, NM; Heyes, C; Highton, AJ; Hudson, JA; Jestel, A; Krapp, S; MacFaul, PA; McGuire, TM; Morley, AD; Morris, JJ; Page, KM; Ribeiro, LR; Sawney, H; Steinbacher, S; Smith, 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:
BDBM50390390
Synonyms:
CHEMBL2070938
Type:
Small organic molecule
Emp. Form.:
C19H25N5O2S
Mol. Mass.:
387.499
SMILES:
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nccs1 |r|
Structure:
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