Target
Cathepsin B
Ligand
BDBM50313478
Substrate
n/a
Meas. Tech.
ChEMBL_617380 (CHEMBL1101891)
IC50
6457±n/a nM
Citation
 Rankovic, ZCai, JKerr, JFradera, XRobinson, JMistry, AHamilton, EMcGarry, GAndrews, FCaulfield, WCumming, IDempster, MWaller, JScullion, PMartin, IMitchell, ALong, CBaugh, MWestwood, PKinghorn, EBruin, JHamilton, WUitdehaag, Jvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg Med Chem Lett 20:1524-7 (2010) [PubMed]  Article 
Target
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:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM50313478
Synonyms:
4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | CHEMBL1084402
Type:
Small organic molecule
Emp. Form.:
C19H21F3N4
Mol. Mass.:
362.392
SMILES:
CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: