Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin B
LigandBDBM50395228
Substrate/Competitorn/a
Meas. Tech.ChEMBL_860170 (CHEMBL2168711)
IC50 712±n/a nM
Citation Dossetter, AGBeeley, HBowyer, JCook, CRCrawford, JJFinlayson, JEHeron, NMHeyes, CHighton, AJHudson, JAJestel, AKenny, PWKrapp, SMartin, SMacFaul, PAMcGuire, TMGutierrez, PMMorley, ADMorris, JJPage, KMRibeiro, LRSawney, HSteinbacher, SSmith, CVickers, M (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J Med Chem55:6363-74 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin B
Name:Cathepsin B
Synonyms:APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:Enzyme
Mol. Mass.:37819.69
Organism:Homo sapiens (Human)
Description:gi_63102437
Residue:339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50395228
n/a
NameBDBM50395228
Synonyms:CHEMBL2164674
TypeSmall organic molecule
Emp. Form.C19H23N3O2
Mol. Mass.325.4048
SMILESO=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: