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BDBM50294105 1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)::CHEMBL550689::N-{8-[8-(N'-Cyclopropylmethyl-guanidino)-octylamino]-octyl}-guanidine

SMILES: [#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]-1-[#6]-[#6]-1

InChI Key: InChIKey=QDRPYBDLSSAHNL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294105   
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)
BDBM50294105
PNG
(1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)...)
Show SMILES [#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]-1-[#6]-[#6]-1 |w:21.20|
Show InChI InChI=1S/C22H47N7/c23-21(24)27-17-11-7-3-1-5-9-15-26-16-10-6-2-4-8-12-18-28-22(25)29-19-20-13-14-20/h20,26H,1-19H2,(H4,23,24,27)(H3,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/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)