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Target
Cathepsin K
Ligand
BDBM19855
Substrate
n/a
Meas. Tech.
ChEMBL_864178 (CHEMBL2175127)
IC50
5±n/a nM
Citation
 Crawford, JJ; Kenny, PW; Bowyer, J; Cook, CR; Finlayson, JE; Heyes, C; Highton, AJ; Hudson, JA; Jestel, A; Krapp, S; Martin, S; Macfaul, PA; McDermott, BP; McGuire, TM; Morley, AD; Morris, JJ; Page, KM; Ribeiro, LR; Sawney, H; Steinbacher, S; Smith, C; Dossetter, AG Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors. J Med Chem 55:8827-37 (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:
BDBM19855
Synonyms:
Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl) | N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide | basic piperazine-containing compound, 10
Type:
Small organic molecule
Emp. Form.:
C23H33N5O2
Mol. Mass.:
411.5404
SMILES:
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Structure:
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