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BDBM50401810 CHEMBL2207151

SMILES: O=C(N[C@@H](C1CCCCC1)c1cn(nn1)C1(CC1)C#N)N1CCOCC1

InChI Key: InChIKey=OINUQBKVQZAEBE-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50401810
PNG
(CHEMBL2207151)
Show SMILES O=C(N[C@@H](C1CCCCC1)c1cn(nn1)C1(CC1)C#N)N1CCOCC1 |r|
Show InChI InChI=1S/C18H26N6O2/c19-13-18(6-7-18)24-12-15(21-22-24)16(14-4-2-1-3-5-14)20-17(25)23-8-10-26-11-9-23/h12,14,16H,1-11H2,(H,20,25)/t16-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...


Bioorg Med Chem Lett 22: 7189-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.054
BindingDB Entry DOI: 10.7270/Q2R212JH
More data for this
Ligand-Target Pair