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BDBM85213 Agmatine::CAS_306-60-5::CHEMBL58343::NSC_199::US8633208, Agmatine

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

InChI Key: InChIKey=QYPPJABKJHAVHS-UHFFFAOYSA-N

Data: 6 KI  5 IC50

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 11 hits for monomerid = 85213   
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 1


(Zea mays)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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Article
PubMed
3.00E+3n/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
Nischarin


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 170-7 (1998)


BindingDB Entry DOI: 10.7270/Q27H1H4B
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor subunit Delta2


(Xenopus)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



State University of New York

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 740-8 (2003)


Article DOI: 10.1124/jpet.102.045799
BindingDB Entry DOI: 10.7270/Q2N878C5
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 170-7 (1998)


BindingDB Entry DOI: 10.7270/Q27H1H4B
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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8.60E+6n/an/an/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of uptake of 0.1 uM MPP+ in OCT1-expressing 293 cells


J Pharmacol Exp Ther 304: 810-7 (2003)


Article DOI: 10.1124/jpet.102.044404
BindingDB Entry DOI: 10.7270/Q2QC04RF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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2.40E+7n/an/an/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of uptake of 0.1 uM MPP+ in OCT1-expressing 293 cells


J Pharmacol Exp Ther 304: 810-7 (2003)


Article DOI: 10.1124/jpet.102.044404
BindingDB Entry DOI: 10.7270/Q2QC04RF
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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n/an/a 3.65E+4n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat imidazoline I1 receptor


Bioorg Med Chem 19: 156-67 (2011)


Article DOI: 10.1016/j.bmc.2010.11.039
BindingDB Entry DOI: 10.7270/Q2GH9J79
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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n/an/a 3.65E+4n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Wistar rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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US Patent
n/an/a 1.00E+5n/an/an/an/an/an/a



Rottapharm S.p.A

US Patent


Assay Description
Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...


US Patent US8633208 (2014)


BindingDB Entry DOI: 10.7270/Q23J3BMD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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US Patent
n/an/a 1.00E+5n/an/an/an/an/an/a



Rottapharm S.p.A

US Patent


Assay Description
Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...


US Patent US8633208 (2014)


BindingDB Entry DOI: 10.7270/Q23J3BMD
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Rattus norvegicus)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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n/an/a 1.56E+5n/an/an/an/an/an/a



National Institute of Dental Research

Curated by ChEMBL


Assay Description
In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase.


J Med Chem 38: 3053-61 (1995)


BindingDB Entry DOI: 10.7270/Q2P55MJ2
More data for this
Ligand-Target Pair