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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, inducible' and Monomerid = 50207159   
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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 3.90E+3n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 4.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by inducible NOS (i NOS) from human DLD-1 cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by inducible NOS from mouse macrophage J774 cells


Bioorg Med Chem Lett 5: 1573-1576 (1995)


Article DOI: 10.1016/0960-894X(95)00273-V
BindingDB Entry DOI: 10.7270/Q25T3KD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 2.66E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...


J Nat Prod 74: 1875-80 (2011)


Article DOI: 10.1021/np200279r
BindingDB Entry DOI: 10.7270/Q2474B72
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 5.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by inducible NOS from human DLD-1 cells.


Bioorg Med Chem Lett 5: 1573-1576 (1995)


Article DOI: 10.1016/0960-894X(95)00273-V
BindingDB Entry DOI: 10.7270/Q25T3KD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)


Article DOI: 10.1016/j.bmc.2013.05.064
BindingDB Entry DOI: 10.7270/Q2CN759B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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Article
PubMed
n/an/a 1.10E+9n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory concentration against nitric oxide synthesis in intact DLD-1 cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)