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PDB code 1M9K

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
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, endothelial (eNOS)


(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
Nitric oxide synthase, endothelial (eNOS)


(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
Nitric Oxide Synthase, endothelial

  (394/415 = 95%)
(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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KEGG

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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, endothelial (eNOS)


(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
Nitric Oxide Synthase, endothelial

  (394/415 = 95%)
(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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Article
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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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output