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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Asparaginyl Endopeptidase (AE)' and Ligand = 'BDBM50378276'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378276
PNG
(CHEMBL582898)
Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:36.37|
Show InChI InChI=1S/C47H50N8O8/c1-32(50-46(61)52-24-26-53(27-25-52)47(62)63-31-34-12-4-3-5-13-34)44(59)49-33(2)45(60)51-55(30-41(48)56)43(58)23-22-42(57)54(28-37-18-10-16-35-14-6-8-20-39(35)37)29-38-19-11-17-36-15-7-9-21-40(36)38/h3-23,32-33H,24-31H2,1-2H3,(H2,48,56)(H,49,59)(H,50,61)(H,51,60)/t32-,33+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair