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BDBM50209245 CHEMBL247378

SMILES: [O-][N+](=O)c1cccc2cn[nH]c12

InChI Key: InChIKey=PQCAUHUKTBHUSA-UHFFFAOYSA-N

Data: 20 IC50

PDB links: 3 PDB IDs match this monomer.

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 20 hits for monomerid = 50209245   
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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.87E+3n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 9: 2569-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Saccharomyces cerevisiae assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radi...


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.12E+3n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 9: 2569-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 800n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide synthase


Bioorg Med Chem Lett 11: 1153-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00156-1
BindingDB Entry DOI: 10.7270/Q2KS6QS3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 600n/an/an/an/an/an/a



UPRES-EA 3915

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS


Bioorg Med Chem Lett 17: 3177-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.024
BindingDB Entry DOI: 10.7270/Q2Z60NR3
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of rat brain recombinant nNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.00E+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 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


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.40E+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, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 2.00E+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 neuronal NOS from rat cerebellum.


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
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 3.60E+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 endothelial NOS from human umbilical vein endothelial 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, brain


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 710n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 5.80E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 110n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...


Bioorg Med Chem 19: 3935-44 (2011)


Article DOI: 10.1016/j.bmc.2011.05.034
BindingDB Entry DOI: 10.7270/Q2H132CH
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioacti...


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioactiv...


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 9: 2569-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)