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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'sanders' and Initial = 'dc'   
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


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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Article
230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289680
PNG
(2-Amino-3-(2-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1ccccc1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-7(9(15)16)5-6-3-1-2-4-8(6)14-10(12)13/h1-4,7H,5,11H2,(H,15,16)(H4,12,13,14)
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289681
PNG
(2-Amino-3-[2-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1ccccc1CC(N)C(O)=O |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-9-5-3-2-4-7(9)6-8(12)10(16)17/h2-5,8H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289680
PNG
(2-Amino-3-(2-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1ccccc1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-7(9(15)16)5-6-3-1-2-4-8(6)14-10(12)13/h1-4,7H,5,11H2,(H,15,16)(H4,12,13,14)
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Article
370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
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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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289681
PNG
(2-Amino-3-[2-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1ccccc1CC(N)C(O)=O |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-9-5-3-2-4-7(9)6-8(12)10(16)17/h2-5,8H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289681
PNG
(2-Amino-3-[2-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1ccccc1CC(N)C(O)=O |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-9-5-3-2-4-7(9)6-8(12)10(16)17/h2-5,8H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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Article
600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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Article
810n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
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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Article
840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
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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Article
860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289677
PNG
(3-(2-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1ccccc1CC(N)C(O)=O |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-10-5-3-2-4-8(10)6-9(13)11(15)16/h2-5,9H,6,13H2,1H3,(H2,12,14)(H,15,16)
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Article
1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289677
PNG
(3-(2-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1ccccc1CC(N)C(O)=O |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-10-5-3-2-4-8(10)6-9(13)11(15)16/h2-5,9H,6,13H2,1H3,(H2,12,14)(H,15,16)
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289677
PNG
(3-(2-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1ccccc1CC(N)C(O)=O |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-10-5-3-2-4-8(10)6-9(13)11(15)16/h2-5,9H,6,13H2,1H3,(H2,12,14)(H,15,16)
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Article
1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289680
PNG
(2-Amino-3-(2-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1ccccc1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-7(9(15)16)5-6-3-1-2-4-8(6)14-10(12)13/h1-4,7H,5,11H2,(H,15,16)(H4,12,13,14)
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Article
2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289679
PNG
(2-Amino-3-[3-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-8-4-2-3-7(5-8)6-9(12)10(16)17/h2-5,9H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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Article
8.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289679
PNG
(2-Amino-3-[3-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-8-4-2-3-7(5-8)6-9(12)10(16)17/h2-5,9H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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Article
8.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289678
PNG
(3-(3-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-9-4-2-3-8(5-9)6-10(13)11(15)16/h2-5,10H,6,13H2,1H3,(H2,12,14)(H,15,16)
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Article
2.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289678
PNG
(3-(3-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-9-4-2-3-8(5-9)6-10(13)11(15)16/h2-5,10H,6,13H2,1H3,(H2,12,14)(H,15,16)
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Article
3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50289682
PNG
(2-Amino-3-(3-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-2-1-3-7(4-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)
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Article
4.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50289682
PNG
(2-Amino-3-(3-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-2-1-3-7(4-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)
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Article
4.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289678
PNG
(3-(3-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:3.3|
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-9-4-2-3-8(5-9)6-10(13)11(15)16/h2-5,10H,6,13H2,1H3,(H2,12,14)(H,15,16)
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Article
8.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289679
PNG
(2-Amino-3-[3-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:4.4|
Show InChI InChI=1S/C11H16N4O2/c1-14-11(13)15-8-4-2-3-7(5-8)6-9(12)10(16)17/h2-5,9H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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Article
9.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289682
PNG
(2-Amino-3-(3-guanidino-phenyl)-propionic acid | CH...)
Show SMILES [#7]-[#6](-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-2-1-3-7(4-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)
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Article
1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair