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TargetCathepsin (B and K)
LigandBDBM50390404
Substrate/Competitorn/a
Meas. Tech.ChEMBL_834958
IC50 1000±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
More Info.:Get all data from this article,  Assay Method
 
Cathepsin (B and K)
Name:Cathepsin (B and K)
Synonyms:APP secretase | APPS | Cathepsin B | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:Enzyme
Mol. Mass.:37819.69
Organism:Homo sapiens
Description:gi_63102437
Residue:339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50390404
NameBDBM50390404
Synonyms:CHEMBL2070936
TypeSmall organic molecule
Emp. Form.C22H27FN4O2
Mol. Mass.398.4738
SMILESFc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a