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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aminopeptidase N' and Ligand = 'BDBM50382508'   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382508
PNG
(CHEMBL2022234)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47FN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20+,21-/m0/s1
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Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair