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PubMed code 10987430

Compile data set for download or QSAR
Found 86 hits of 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, inducible


(Homo sapiens (Human))		BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
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n/an/a 28n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091811
PNG
(6-Butyl-4-methyl-pyridin-2-ylamine | CHEMBL292507)
Show SMILES CCCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h6-7H,3-5H2,1-2H3,(H2,11,12)
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091792
PNG
(6-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL294084)
Show SMILES CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C8H12N2/c1-3-7-4-6(2)5-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091791
PNG
(4-Methyl-pyridine-2,3-diamine | CHEMBL61427)
Show SMILES Cc1ccnc(N)c1N
Show InChI InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
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n/an/a 59n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091809
PNG
(3,4-Dimethyl-pyridin-2-ylamine | CHEMBL61939)
Show SMILES Cc1ccnc(N)c1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 76n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091803
PNG
(4-Methyl-6-(3-methyl-butyl)-pyridin-2-ylamine | CH...)
Show SMILES CC(C)CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C11H18N2/c1-8(2)4-5-10-6-9(3)7-11(12)13-10/h6-8H,4-5H2,1-3H3,(H2,12,13)
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n/an/a 76n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091791
PNG
(4-Methyl-pyridine-2,3-diamine | CHEMBL61427)
Show SMILES Cc1ccnc(N)c1N
Show InChI InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091798
PNG
(6-Isopropyl-4-methyl-pyridin-2-ylamine | CHEMBL299...)
Show SMILES CC(C)c1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3,(H2,10,11)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091809
PNG
(3,4-Dimethyl-pyridin-2-ylamine | CHEMBL61939)
Show SMILES Cc1ccnc(N)c1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
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Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 170n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091798
PNG
(6-Isopropyl-4-methyl-pyridin-2-ylamine | CHEMBL299...)
Show SMILES CC(C)c1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3,(H2,10,11)
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Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
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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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091792
PNG
(6-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL294084)
Show SMILES CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C8H12N2/c1-3-7-4-6(2)5-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)
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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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091814
PNG
(4,5-Dimethyl-pyridin-2-ylamine | CHEMBL293022)
Show SMILES Cc1cnc(N)cc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091803
PNG
(4-Methyl-6-(3-methyl-butyl)-pyridin-2-ylamine | CH...)
Show SMILES CC(C)CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C11H18N2/c1-8(2)4-5-10-6-9(3)7-11(12)13-10/h6-8H,4-5H2,1-3H3,(H2,12,13)
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n/an/a 510n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091808
PNG
(5-METHYLPYRIDIN-2-AMINE | 5-Methyl-pyridin-2-ylami...)
Show SMILES Cc1ccc(N)nc1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 600n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091814
PNG
(4,5-Dimethyl-pyridin-2-ylamine | CHEMBL293022)
Show SMILES Cc1cnc(N)cc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091799
PNG
(5-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL61599)
Show SMILES CCc1cnc(N)cc1C
Show InChI InChI=1S/C8H12N2/c1-3-7-5-10-8(9)4-6(7)2/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091814
PNG
(4,5-Dimethyl-pyridin-2-ylamine | CHEMBL293022)
Show SMILES Cc1cnc(N)cc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 810n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091794
PNG
(2-amino-6-methylpyridine | 6-Methyl-pyridin-2-ylam...)
Show SMILES Cc1cccc(N)n1
Show InChI InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
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n/an/a 820n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091797
PNG
(3-Methyl-pyridin-2-ylamine | CHEMBL291544)
Show SMILES Cc1cccnc1N
Show InChI InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
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n/an/a 940n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091798
PNG
(6-Isopropyl-4-methyl-pyridin-2-ylamine | CHEMBL299...)
Show SMILES CC(C)c1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3,(H2,10,11)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091797
PNG
(3-Methyl-pyridin-2-ylamine | CHEMBL291544)
Show SMILES Cc1cccnc1N
Show InChI InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091797
PNG
(3-Methyl-pyridin-2-ylamine | CHEMBL291544)
Show SMILES Cc1cccnc1N
Show InChI InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091799
PNG
(5-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL61599)
Show SMILES CCc1cnc(N)cc1C
Show InChI InChI=1S/C8H12N2/c1-3-7-5-10-8(9)4-6(7)2/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 1.30E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.40E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/a 1.70E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091803
PNG
(4-Methyl-6-(3-methyl-butyl)-pyridin-2-ylamine | CH...)
Show SMILES CC(C)CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C11H18N2/c1-8(2)4-5-10-6-9(3)7-11(12)13-10/h6-8H,4-5H2,1-3H3,(H2,12,13)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 1.90E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091794
PNG
(2-amino-6-methylpyridine | 6-Methyl-pyridin-2-ylam...)
Show SMILES Cc1cccc(N)n1
Show InChI InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
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n/an/a 2.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091815
PNG
(3,5-Dimethyl-pyridin-2-ylamine | CHEMBL61430)
Show SMILES Cc1cnc(N)c(C)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091802
PNG
(5,6-Dimethyl-pyridin-2-ylamine | CHEMBL59592)
Show SMILES Cc1ccc(N)nc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091789
PNG
(4-Methyl-5,6,7,8-tetrahydro-quinolin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc2CCCCc12
Show InChI InChI=1S/C10H14N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3,(H2,11,12)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091806
PNG
(3-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL292981)
Show SMILES CCc1c(C)ccnc1N
Show InChI InChI=1S/C8H12N2/c1-3-7-6(2)4-5-10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 2.70E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091802
PNG
(5,6-Dimethyl-pyridin-2-ylamine | CHEMBL59592)
Show SMILES Cc1ccc(N)nc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091808
PNG
(5-METHYLPYRIDIN-2-AMINE | 5-Methyl-pyridin-2-ylami...)
Show SMILES Cc1ccc(N)nc1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091793
PNG
(4-Methyl-6-(3-phenyl-propyl)-pyridin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc(CCCc2ccccc2)c1
Show InChI InChI=1S/C15H18N2/c1-12-10-14(17-15(16)11-12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,16,17)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091806
PNG
(3-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL292981)
Show SMILES CCc1c(C)ccnc1N
Show InChI InChI=1S/C8H12N2/c1-3-7-6(2)4-5-10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091799
PNG
(5-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL61599)
Show SMILES CCc1cnc(N)cc1C
Show InChI InChI=1S/C8H12N2/c1-3-7-5-10-8(9)4-6(7)2/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091815
PNG
(3,5-Dimethyl-pyridin-2-ylamine | CHEMBL61430)
Show SMILES Cc1cnc(N)c(C)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091789
PNG
(4-Methyl-5,6,7,8-tetrahydro-quinolin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc2CCCCc12
Show InChI InChI=1S/C10H14N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3,(H2,11,12)
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n/an/a 4.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091807
PNG
(5,6,7,8-Tetrahydro-isoquinolin-3-ylamine | CHEMBL6...)
Show SMILES Nc1cc2CCCCc2cn1
Show InChI InChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 4.10E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 4.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091802
PNG
(5,6-Dimethyl-pyridin-2-ylamine | CHEMBL59592)
Show SMILES Cc1ccc(N)nc1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 7.20E+3n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091807
PNG
(5,6,7,8-Tetrahydro-isoquinolin-3-ylamine | CHEMBL6...)
Show SMILES Nc1cc2CCCCc2cn1
Show InChI InChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091790
PNG
(5,6,7,8-Tetrahydro-isoquinolin-1-ylamine | CHEMBL5...)
Show SMILES Nc1nccc2CCCCc12
Show InChI InChI=1S/C9H12N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091793
PNG
(4-Methyl-6-(3-phenyl-propyl)-pyridin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc(CCCc2ccccc2)c1
Show InChI InChI=1S/C15H18N2/c1-12-10-14(17-15(16)11-12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,16,17)
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n/an/a 1.27E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091804
PNG
(4-Trifluoromethyl-pyridin-2-ylamine | CHEMBL294044...)
Show SMILES Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)
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n/an/a 1.32E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091815
PNG
(3,5-Dimethyl-pyridin-2-ylamine | CHEMBL61430)
Show SMILES Cc1cnc(N)c(C)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 1.46E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091807
PNG
(5,6,7,8-Tetrahydro-isoquinolin-3-ylamine | CHEMBL6...)
Show SMILES Nc1cc2CCCCc2cn1
Show InChI InChI=1S/C9H12N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 1.66E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091793
PNG
(4-Methyl-6-(3-phenyl-propyl)-pyridin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc(CCCc2ccccc2)c1
Show InChI InChI=1S/C15H18N2/c1-12-10-14(17-15(16)11-12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,16,17)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091789
PNG
(4-Methyl-5,6,7,8-tetrahydro-quinolin-2-ylamine | C...)
Show SMILES Cc1cc(N)nc2CCCCc12
Show InChI InChI=1S/C10H14N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3,(H2,11,12)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091790
PNG
(5,6,7,8-Tetrahydro-isoquinolin-1-ylamine | CHEMBL5...)
Show SMILES Nc1nccc2CCCCc12
Show InChI InChI=1S/C9H12N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091790
PNG
(5,6,7,8-Tetrahydro-isoquinolin-1-ylamine | CHEMBL5...)
Show SMILES Nc1nccc2CCCCc12
Show InChI InChI=1S/C9H12N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/a 2.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091816
PNG
(4-Methyl-3-propyl-pyridin-2-ylamine | CHEMBL299906)
Show SMILES CCCc1c(C)ccnc1N
Show InChI InChI=1S/C9H14N2/c1-3-4-8-7(2)5-6-11-9(8)10/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 3.45E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50091795
PNG
(6,7-Dihydro-5H-[1]pyrindin-2-ylamine | CHEMBL29269...)
Show SMILES Nc1ccc2CCCc2n1
Show InChI InChI=1S/C8H10N2/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2,(H2,9,10)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091810
PNG
(4-Chloro-pyridin-2-ylamine | CHEMBL293728)
Show SMILES Nc1cc(Cl)ccn1
Show InChI InChI=1S/C5H5ClN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
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n/an/a>5.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091812
PNG
(4-Propyl-pyridin-2-ylamine | CHEMBL59235)
Show SMILES CCCc1ccnc(N)c1
Show InChI InChI=1S/C8H12N2/c1-2-3-7-4-5-10-8(9)6-7/h4-6H,2-3H2,1H3,(H2,9,10)
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n/an/a>5.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091795
PNG
(6,7-Dihydro-5H-[1]pyrindin-2-ylamine | CHEMBL29269...)
Show SMILES Nc1ccc2CCCc2n1
Show InChI InChI=1S/C8H10N2/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2,(H2,9,10)
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n/an/a>5.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091795
PNG
(6,7-Dihydro-5H-[1]pyrindin-2-ylamine | CHEMBL29269...)
Show SMILES Nc1ccc2CCCc2n1
Show InChI InChI=1S/C8H10N2/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2,(H2,9,10)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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n/an/a>5.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50091804
PNG
(4-Trifluoromethyl-pyridin-2-ylamine | CHEMBL294044...)
Show SMILES Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)
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n/an/a 7.24E+4n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
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 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)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(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 1.18E+5n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(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 5.00E+5n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%