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PubMed code 10741561

Compile data set for download or QSAR
Found 48 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))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(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



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
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-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
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 3.50E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
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 4.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086470
PNG
((R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
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 6.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086464
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O4S/c1-5(8)10-2-3-15(13,14)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086468
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-5(8)10-2-3-14(13)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-,14?/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
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-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of endothelial Nitric Oxide Synthase in human


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(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 6.20E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086468
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-5(8)10-2-3-14(13)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-,14?/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
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-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086471
PNG
((S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propion...)
Show SMILES CC(=N)NCCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086471
PNG
((S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propion...)
Show SMILES CC(=N)NCCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086469
PNG
(4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of neuronal Nitric Oxide Synthase in human


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086470
PNG
((R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086469
PNG
(4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086469
PNG
(4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086470
PNG
((R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086471
PNG
((S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propion...)
Show SMILES CC(=N)NCCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(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 1.45E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086468
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-5(8)10-2-3-14(13)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-,14?/m1/s1
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n/an/a 1.55E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(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 4.66E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086464
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O4S/c1-5(8)10-2-3-15(13,14)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 6.30E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086464
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O4S/c1-5(8)10-2-3-15(13,14)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%