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BDBM50294110 1,1'-(8,8'-azanediylbis(octane-8,1-diyl))bis(3-(3-methylbut-2-enyl)guanidine)::1,17-Bis(N1-gamma.gamma-dimethylallyl)guanidino-9-azaheptadecano tris(trifluoroacetate)::CHEMBL560899

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]-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=RLGQMSMDYKBVHI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294110   
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)
BDBM50294110
PNG
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))bis(3-(3-...)
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]-[#6]\[#6]=[#6](\[#6])-[#6] |w:29.29,8.8|
Show InChI InChI=1S/C28H57N7/c1-25(2)17-23-34-27(29)32-21-15-11-7-5-9-13-19-31-20-14-10-6-8-12-16-22-33-28(30)35-24-18-26(3)4/h17-18,31H,5-16,19-24H2,1-4H3,(H3,29,32,34)(H3,30,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/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)