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PubMed code 9651169

Compile data set for download or QSAR
Found 49 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, brain


(Rattus norvegicus (rat))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065369
PNG
(CHEMBL89454 | N*1*-(5-Methyl-2-nitro-phenyl)-butan...)
Show SMILES Cc1ccc(c(NCCCCN)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H17N3O2/c1-9-4-5-11(14(15)16)10(8-9)13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065362
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065366
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)CO)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H19N3O3/c1-9-4-5-12(15(17)18)11(7-9)14-6-2-3-10(13)8-16/h4-5,7,10,14,16H,2-3,6,8,13H2,1H3/t10-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065364
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenoxy)-pentanoic...)
Show SMILES Cc1ccc(c(OCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O5/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065359
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylsulfanyl)-pe...)
Show SMILES Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O4S/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065359
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylsulfanyl)-pe...)
Show SMILES Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O4S/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065362
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065366
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)CO)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H19N3O3/c1-9-4-5-12(15(17)18)11(7-9)14-6-2-3-10(13)8-16/h4-5,7,10,14,16H,2-3,6,8,13H2,1H3/t10-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		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 7.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		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 7.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065359
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylsulfanyl)-pe...)
Show SMILES Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O4S/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065369
PNG
(CHEMBL89454 | N*1*-(5-Methyl-2-nitro-phenyl)-butan...)
Show SMILES Cc1ccc(c(NCCCCN)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H17N3O2/c1-9-4-5-11(14(15)16)10(8-9)13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065364
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenoxy)-pentanoic...)
Show SMILES Cc1ccc(c(OCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O5/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065362
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065369
PNG
(CHEMBL89454 | N*1*-(5-Methyl-2-nitro-phenyl)-butan...)
Show SMILES Cc1ccc(c(NCCCCN)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H17N3O2/c1-9-4-5-11(14(15)16)10(8-9)13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065371
PNG
((S)-2-Amino-5-(5-methoxy-2-nitro-phenylamino)-pent...)
Show SMILES COc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O5/c1-20-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		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 2.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065375
PNG
((S)-2-Amino-5-(2,6-dinitro-phenylamino)-pentanoic ...)
Show SMILES N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14N4O6/c12-7(11(16)17)3-2-6-13-10-8(14(18)19)4-1-5-9(10)15(20)21/h1,4-5,7,13H,2-3,6,12H2,(H,16,17)/t7-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065366
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@H](N)CO)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H19N3O3/c1-9-4-5-12(15(17)18)11(7-9)14-6-2-3-10(13)8-16/h4-5,7,10,14,16H,2-3,6,8,13H2,1H3/t10-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065374
PNG
((S)-2-Amino-6-(5-methyl-2-nitro-phenylamino)-hexan...)
Show SMILES Cc1ccc(c(NCCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H19N3O4/c1-9-5-6-12(16(19)20)11(8-9)15-7-3-2-4-10(14)13(17)18/h5-6,8,10,15H,2-4,7,14H2,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065375
PNG
((S)-2-Amino-5-(2,6-dinitro-phenylamino)-pentanoic ...)
Show SMILES N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14N4O6/c12-7(11(16)17)3-2-6-13-10-8(14(18)19)4-1-5-9(10)15(20)21/h1,4-5,7,13H,2-3,6,12H2,(H,16,17)/t7-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065377
PNG
((R)-2-Amino-5-(5-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(c(NCCC[C@@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-11(15(18)19)10(7-8)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065372
PNG
(5-Methyl-2-nitro-phenylamine | CHEMBL278016 | EN30...)
Show SMILES Cc1ccc(c(N)c1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065364
PNG
((S)-2-Amino-5-(5-methyl-2-nitro-phenoxy)-pentanoic...)
Show SMILES Cc1ccc(c(OCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O5/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065373
PNG
((S)-2-Amino-5-(4-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(NCCC[C@H](N)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-10(11(7-8)15(18)19)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065363
PNG
((S)-2-Amino-5-m-tolylamino-pentanoic acid | CHEMBL...)
Show SMILES Cc1cccc(NCCC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H18N2O2/c1-9-4-2-5-10(8-9)14-7-3-6-11(13)12(15)16/h2,4-5,8,11,14H,3,6-7,13H2,1H3,(H,15,16)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065363
PNG
((S)-2-Amino-5-m-tolylamino-pentanoic acid | CHEMBL...)
Show SMILES Cc1cccc(NCCC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H18N2O2/c1-9-4-2-5-10(8-9)14-7-3-6-11(13)12(15)16/h2,4-5,8,11,14H,3,6-7,13H2,1H3,(H,15,16)/t11-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065360
PNG
((S)-2-Amino-5-(5-hydroxy-2-nitro-phenylamino)-pent...)
Show SMILES N[C@@H](CCCNc1cc(O)ccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H15N3O5/c12-8(11(16)17)2-1-5-13-9-6-7(15)3-4-10(9)14(18)19/h3-4,6,8,13,15H,1-2,5,12H2,(H,16,17)/t8-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065367
PNG
((S)-2-Amino-5-(2-nitro-phenylamino)-pentanoic acid...)
Show SMILES N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H15N3O4/c12-8(11(15)16)4-3-7-13-9-5-1-2-6-10(9)14(17)18/h1-2,5-6,8,13H,3-4,7,12H2,(H,15,16)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065370
PNG
((S)-2-Amino-5-(2,4-dinitro-phenylamino)-pentanoic ...)
Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14N4O6/c12-8(11(16)17)2-1-5-13-9-4-3-7(14(18)19)6-10(9)15(20)21/h3-4,6,8,13H,1-2,5,12H2,(H,16,17)/t8-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065365
PNG
((S)-2-Amino-4-(5-methyl-2-nitro-phenylamino)-butyr...)
Show SMILES Cc1ccc(c(NCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O4/c1-7-2-3-10(14(17)18)9(6-7)13-5-4-8(12)11(15)16/h2-3,6,8,13H,4-5,12H2,1H3,(H,15,16)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065376
PNG
(4-((S)-4-Amino-4-carboxy-butylamino)-3-nitro-benzo...)
Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H15N3O6/c13-8(12(18)19)2-1-5-14-9-4-3-7(11(16)17)6-10(9)15(20)21/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)(H,18,19)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065376
PNG
(4-((S)-4-Amino-4-carboxy-butylamino)-3-nitro-benzo...)
Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H15N3O6/c13-8(12(18)19)2-1-5-14-9-4-3-7(11(16)17)6-10(9)15(20)21/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)(H,18,19)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065367
PNG
((S)-2-Amino-5-(2-nitro-phenylamino)-pentanoic acid...)
Show SMILES N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H15N3O4/c12-8(11(15)16)4-3-7-13-9-5-1-2-6-10(9)14(17)18/h1-2,5-6,8,13H,3-4,7,12H2,(H,15,16)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065373
PNG
((S)-2-Amino-5-(4-methyl-2-nitro-phenylamino)-penta...)
Show SMILES Cc1ccc(NCCC[C@H](N)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-10(11(7-8)15(18)19)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065357
PNG
((S)-2-Amino-5-m-tolylsulfanyl-pentanoic acid | CHE...)
Show SMILES Cc1cccc(SCCC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9-4-2-5-10(8-9)16-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)/t11-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065368
PNG
((S)-2-Amino-5-(2-nitro-4-trifluoromethyl-phenylami...)
Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065358
PNG
((S)-2-Amino-5-(4-fluoro-2-nitro-phenylamino)-penta...)
Show SMILES N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14FN3O4/c12-7-3-4-9(10(6-7)15(18)19)14-5-1-2-8(13)11(16)17/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065356
PNG
((S)-2-Amino-5-(2-chloro-6-nitro-phenylamino)-penta...)
Show SMILES N[C@@H](CCCNc1c(Cl)cccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14ClN3O4/c12-7-3-1-5-9(15(18)19)10(7)14-6-2-4-8(13)11(16)17/h1,3,5,8,14H,2,4,6,13H2,(H,16,17)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065358
PNG
((S)-2-Amino-5-(4-fluoro-2-nitro-phenylamino)-penta...)
Show SMILES N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14FN3O4/c12-7-3-4-9(10(6-7)15(18)19)14-5-1-2-8(13)11(16)17/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065368
PNG
((S)-2-Amino-5-(2-nitro-4-trifluoromethyl-phenylami...)
Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50065357
PNG
((S)-2-Amino-5-m-tolylsulfanyl-pentanoic acid | CHE...)
Show SMILES Cc1cccc(SCCC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9-4-2-5-10(8-9)16-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)/t11-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065365
PNG
((S)-2-Amino-4-(5-methyl-2-nitro-phenylamino)-butyr...)
Show SMILES Cc1ccc(c(NCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O4/c1-7-2-3-10(14(17)18)9(6-7)13-5-4-8(12)11(15)16/h2-3,6,8,13H,4-5,12H2,1H3,(H,15,16)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065358
PNG
((S)-2-Amino-5-(4-fluoro-2-nitro-phenylamino)-penta...)
Show SMILES N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14FN3O4/c12-7-3-4-9(10(6-7)15(18)19)14-5-1-2-8(13)11(16)17/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50065360
PNG
((S)-2-Amino-5-(5-hydroxy-2-nitro-phenylamino)-pent...)
Show SMILES N[C@@H](CCCNc1cc(O)ccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H15N3O5/c12-8(11(16)17)2-1-5-13-9-6-7(15)3-4-10(9)14(18)19/h3-4,6,8,13,15H,1-2,5,12H2,(H,16,17)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50065367
PNG
((S)-2-Amino-5-(2-nitro-phenylamino)-pentanoic acid...)
Show SMILES N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H15N3O4/c12-8(11(15)16)4-3-7-13-9-5-1-2-6-10(9)14(17)18/h1-2,5-6,8,13H,3-4,7,12H2,(H,15,16)/t8-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...

J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%