new BindingDB logo
myBDB logout

BDBM50294107 1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)::CHEMBL550834

SMILES: [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=JMFSNVDWLIQZMS-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294107   
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
Polyamine oxidase


(Zea mays)
BDBM50294107
PNG
(1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-...)
Show SMILES [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h27H,1,3-20H2,2H3,(H4,24,25,28)(H3,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)