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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'boucher' and Initial = 'l'   
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, brain


(Rattus norvegicus (rat))
BDBM50271277
PNG
(1H-Indazole-7-carbonitrile | CHEMBL484298)
Show SMILES N#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
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1.30E+4n/an/an/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Activity of rat brain recombinant nNOS assessed as L-arginine oxidation in presence of 10 uM (6R)-5,6,7,8-tetrahydro-L-biopterin


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))
BDBM50295565
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17/h2-12,19H,13-14H2,1H3/p+1
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1.40E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


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, inducible


(Mus musculus (mouse))
BDBM50295567
PNG
(3-[4'-(4''-Methoxyphenyl)benzoyl]-3,4-dihydro-8-me...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Show InChI InChI=1S/C23H22N2O2/c1-16-11-12-25-15-20(14-24-22(25)13-16)23(26)19-5-3-17(4-6-19)18-7-9-21(27-2)10-8-18/h3-13,20H,14-15H2,1-2H3/p+1
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1.50E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


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, inducible


(Mus musculus (mouse))
BDBM50295568
PNG
(3,4-Dihydro-8-methyl-3-[2-(6-methylnaphthoyl)]-2H-...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3/p+1
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2.30E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


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
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108228
PNG
(1‐nitroso‐2‐naphthol (Substrate ...)
Show SMILES Oc1ccc2ccccc2c1N=O
Show InChI InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
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4.22E+5 -20.0 1.07E+6n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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n/an/a 1.80E+3n/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
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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n/an/a 2.00E+3n/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))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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n/an/a 2.20E+3n/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, brain


(Rattus norvegicus (rat))
BDBM50270530
PNG
(3-Bromo-1H-indazole-7-carbonitrile | CHEMBL451541)
Show SMILES Brc1n[nH]c2c(cccc12)C#N
Show InChI InChI=1S/C8H4BrN3/c9-8-6-3-1-2-5(4-10)7(6)11-12-8/h1-3H,(H,11,12)
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n/an/a 2.50E+3n/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))
BDBM50270530
PNG
(3-Bromo-1H-indazole-7-carbonitrile | CHEMBL451541)
Show SMILES Brc1n[nH]c2c(cccc12)C#N
Show InChI InChI=1S/C8H4BrN3/c9-8-6-3-1-2-5(4-10)7(6)11-12-8/h1-3H,(H,11,12)
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n/an/a 5.70E+3n/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50157216
PNG
(2-Bromomethyl-8-nitro-benzo[c]chromen-6-one | CHEM...)
Show SMILES [O-][N+](=O)c1ccc2c3cc(CBr)ccc3oc(=O)c2c1
Show InChI InChI=1S/C14H8BrNO4/c15-7-8-1-4-13-11(5-8)10-3-2-9(16(18)19)6-12(10)14(17)20-13/h1-6H,7H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV aspartyl protease


Bioorg Med Chem Lett 15: 135-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.018
BindingDB Entry DOI: 10.7270/Q23B5ZMJ
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295566
PNG
(3-[4'-(4''-Cyanophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O/c1-16-10-11-26-15-21(14-25-22(26)12-16)23(27)20-8-6-19(7-9-20)18-4-2-17(13-24)3-5-18/h2-12,21H,14-15H2,1H3/p+1
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n/an/a 1.10E+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 NADPH consumption after 2 mins by spectrophotometry


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, endothelial


(Bos taurus (bovine))
BDBM50295566
PNG
(3-[4'-(4''-Cyanophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O/c1-16-10-11-26-15-21(14-25-22(26)12-16)23(27)20-8-6-19(7-9-20)18-4-2-17(13-24)3-5-18/h2-12,21H,14-15H2,1H3/p+1
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n/an/a 1.20E+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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50295571
PNG
(3-[4'-(4''-Chlorobenzyloxy)benzoyl]-3,4-dihydro-8-...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-16-10-11-26-14-19(13-25-22(26)12-16)23(27)18-4-8-21(9-5-18)28-15-17-2-6-20(24)7-3-17/h2-12,19H,13-15H2,1H3/p+1
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n/an/a 1.20E+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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50270530
PNG
(3-Bromo-1H-indazole-7-carbonitrile | CHEMBL451541)
Show SMILES Brc1n[nH]c2c(cccc12)C#N
Show InChI InChI=1S/C8H4BrN3/c9-8-6-3-1-2-5(4-10)7(6)11-12-8/h1-3H,(H,11,12)
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n/an/a 1.30E+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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295567
PNG
(3-[4'-(4''-Methoxyphenyl)benzoyl]-3,4-dihydro-8-me...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Show InChI InChI=1S/C23H22N2O2/c1-16-11-12-25-15-20(14-24-22(25)13-16)23(26)19-5-3-17(4-6-19)18-7-9-21(27-2)10-8-18/h3-13,20H,14-15H2,1-2H3/p+1
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n/an/a 1.80E+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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50271277
PNG
(1H-Indazole-7-carbonitrile | CHEMBL484298)
Show SMILES N#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
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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, 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, 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, inducible


(Mus musculus (mouse))
BDBM50295565
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17/h2-12,19H,13-14H2,1H3/p+1
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n/an/a 2.80E+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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295568
PNG
(3,4-Dihydro-8-methyl-3-[2-(6-methylnaphthoyl)]-2H-...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3/p+1
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n/an/a 2.90E+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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50271277
PNG
(1H-Indazole-7-carbonitrile | CHEMBL484298)
Show SMILES N#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
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n/an/a 3.00E+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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295570
PNG
(3,4-Dihydro-6,8-dimethyl-3-[2-(6-methylnaphthoyl)]...)
Show SMILES Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C22H22N2O/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20/h4-11,20H,12-13H2,1-3H3/p+1
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n/an/a 3.50E+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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295565
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17/h2-12,19H,13-14H2,1H3/p+1
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n/an/a 3.50E+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 NADPH consumption after 2 mins by spectrophotometry


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, 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 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


(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 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)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50157217
PNG
(2-Methyl-8-nitro-benzo[c]chromen-6-one | CHEMBL182...)
Show SMILES Cc1ccc2oc(=O)c3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H9NO4/c1-8-2-5-13-11(6-8)10-4-3-9(15(17)18)7-12(10)14(16)19-13/h2-7H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV aspartyl protease


Bioorg Med Chem Lett 15: 135-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.018
BindingDB Entry DOI: 10.7270/Q23B5ZMJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50071730
PNG
(BORONIC ACID ANALOG OF L-ARGININE | CHEMBL2448330)
Show SMILES Cl.Cl.[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8]
Show InChI InChI=1S/C5H15BN4O2.2ClH/c7-4(6(11)12)2-1-3-10-5(8)9;;/h4,11-12H,1-3,7H2,(H4,8,9,10);2*1H/t4-;;/m0../s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Université de Rennes 1

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against inducible nitric oxide synthase


Bioorg Med Chem Lett 8: 2573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2W66JZ6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50157215
PNG
(8-Amino-2-bromomethyl-benzo[c]chromen-6-one | CHEM...)
Show SMILES Nc1ccc2c3cc(CBr)ccc3oc(=O)c2c1
Show InChI InChI=1S/C14H10BrNO2/c15-7-8-1-4-13-11(5-8)10-3-2-9(16)6-12(10)14(17)18-13/h1-6H,7,16H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV aspartyl protease


Bioorg Med Chem Lett 15: 135-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.018
BindingDB Entry DOI: 10.7270/Q23B5ZMJ
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295566
PNG
(3-[4'-(4''-Cyanophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O/c1-16-10-11-26-15-21(14-25-22(26)12-16)23(27)20-8-6-19(7-9-20)18-4-2-17(13-24)3-5-18/h2-12,21H,14-15H2,1H3/p+1
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n/an/a 5.00E+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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50295570
PNG
(3,4-Dihydro-6,8-dimethyl-3-[2-(6-methylnaphthoyl)]...)
Show SMILES Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C22H22N2O/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20/h4-11,20H,12-13H2,1-3H3/p+1
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n/an/a 5.30E+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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50271279
PNG
(1H-Indazole-7-carboxamide | CHEMBL451401)
Show SMILES NC(=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)6-3-1-2-5-4-10-11-7(5)6/h1-4H,(H2,9,12)(H,10,11)
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n/an/a 5.50E+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, endothelial


(Bos taurus (bovine))
BDBM50295567
PNG
(3-[4'-(4''-Methoxyphenyl)benzoyl]-3,4-dihydro-8-me...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Show InChI InChI=1S/C23H22N2O2/c1-16-11-12-25-15-20(14-24-22(25)13-16)23(26)19-5-3-17(4-6-19)18-7-9-21(27-2)10-8-18/h3-13,20H,14-15H2,1-2H3/p+1
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n/an/a 6.00E+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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50295570
PNG
(3,4-Dihydro-6,8-dimethyl-3-[2-(6-methylnaphthoyl)]...)
Show SMILES Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C22H22N2O/c1-14-4-5-18-11-19(7-6-17(18)9-14)22(25)20-12-23-21-10-15(2)8-16(3)24(21)13-20/h4-11,20H,12-13H2,1-3H3/p+1
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n/an/a 6.00E+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))
BDBM50295567
PNG
(3-[4'-(4''-Methoxyphenyl)benzoyl]-3,4-dihydro-8-me...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Show InChI InChI=1S/C23H22N2O2/c1-16-11-12-25-15-20(14-24-22(25)13-16)23(26)19-5-3-17(4-6-19)18-7-9-21(27-2)10-8-18/h3-13,20H,14-15H2,1-2H3/p+1
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n/an/a 8.70E+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, inducible


(Mus musculus (mouse))
BDBM50271277
PNG
(1H-Indazole-7-carbonitrile | CHEMBL484298)
Show SMILES N#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
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n/an/a 1.10E+5n/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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50271275
PNG
(1H-Indazol-7-amine | 1H-indazol-7-amine, 1 | CHEMB...)
Show SMILES Nc1cccc2cn[nH]c12
Show InChI InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
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n/an/a 1.10E+5n/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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295569
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-6,8-di...)
Show SMILES Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrN2O/c1-15-11-16(2)26-14-20(13-25-22(26)12-15)23(27)19-5-3-17(4-6-19)18-7-9-21(24)10-8-18/h3-12,20H,13-14H2,1-2H3/p+1
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n/an/a 1.20E+5n/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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50271276
PNG
(7-Iodo-1H-indazole | CHEMBL510569)
Show SMILES Ic1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5IN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
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n/an/a 1.25E+5n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50295566
PNG
(3-[4'-(4''-Cyanophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O/c1-16-10-11-26-15-21(14-25-22(26)12-16)23(27)20-8-6-19(7-9-20)18-4-2-17(13-24)3-5-18/h2-12,21H,14-15H2,1H3/p+1
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n/an/a 1.28E+5n/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, endothelial


(Bos taurus (bovine))
BDBM50295569
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-6,8-di...)
Show SMILES Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrN2O/c1-15-11-16(2)26-14-20(13-25-22(26)12-15)23(27)19-5-3-17(4-6-19)18-7-9-21(24)10-8-18/h3-12,20H,13-14H2,1-2H3/p+1
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n/an/a 1.88E+5n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50271276
PNG
(7-Iodo-1H-indazole | CHEMBL510569)
Show SMILES Ic1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5IN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
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n/an/a 2.00E+5n/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
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50065935
PNG
(CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...)
Show SMILES O=Nc1ccccc1
Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.08E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50270526
PNG
(7-Ethynyl-1H-indazole | CHEMBL452956)
Show SMILES C#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C9H6N2/c1-2-7-4-3-5-8-6-10-11-9(7)8/h1,3-6H,(H,10,11)
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n/an/a 2.25E+5n/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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50240903
PNG
(1-methyl-7-nitro-1H-indazole | CHEMBL354723)
Show SMILES Cn1ncc2cccc([N+]([O-])=O)c12
Show InChI InChI=1S/C8H7N3O2/c1-10-8-6(5-9-10)3-2-4-7(8)11(12)13/h2-5H,1H3
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n/an/a 2.50E+5n/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
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108226
PNG
(1‐methyl‐2‐nitrosobenzene (Subst...)
Show SMILES Cc1ccccc1N=O
Show InChI InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3
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n/an/a 2.91E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50071730
PNG
(BORONIC ACID ANALOG OF L-ARGININE | CHEMBL2448330)
Show SMILES Cl.Cl.[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8]
Show InChI InChI=1S/C5H15BN4O2.2ClH/c7-4(6(11)12)2-1-3-10-5(8)9;;/h4,11-12H,1-3,7H2,(H4,8,9,10);2*1H/t4-;;/m0../s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Université de Rennes 1

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against inducible nitric oxide synthase


Bioorg Med Chem Lett 8: 2573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2W66JZ6
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108230
PNG
(6‐hydroxy‐5‐nitrosonaphthalene&#...)
Show SMILES NS(=O)(=O)c1ccc2c(N=O)c(O)ccc2c1
Show InChI InChI=1S/C10H8N2O4S/c11-17(15,16)7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H,(H2,11,15,16)
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n/an/a 3.54E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
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