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Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 50037336   
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))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150924
PNG
(4,5-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CC(N)=NC1C |c:4|
Show InChI InChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150933
PNG
(4-Ethyl-5-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(N)=NC1C |c:5|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
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Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150933
PNG
(4-Ethyl-5-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(N)=NC1C |c:5|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1 |t:3|
Show InChI InChI=1S/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150924
PNG
(4,5-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CC(N)=NC1C |c:4|
Show InChI InChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12 |t:1|
Show InChI InChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066783
PNG
(4-Ethyl-pyrrolidin-(2E)-ylideneamine; hydrochlorid...)
Show SMILES CCC1CN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150924
PNG
(4,5-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CC(N)=NC1C |c:4|
Show InChI InChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150928
PNG
(3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CN=C(N)C1C |t:3|
Show InChI InChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150930
PNG
(4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CN=C(N)C1C |t:4|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-9-7(8)5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150929
PNG
(CHEMBL185441 | Octahydro-isoindol-(1Z)-ylideneamin...)
Show SMILES NC1=NCC2CCCCC12 |t:1|
Show InChI InChI=1S/C8H14N2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2,(H2,9,10)
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1 |t:3|
Show InChI InChI=1S/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066781
PNG
(3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCN=C1N |c:4|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150920
PNG
(2-AMINOTHIAZOLINE | 4,5-dihydrothiazol-2-amine | C...)
Show SMILES NC1=NCCS1 |t:1|
Show InChI InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150930
PNG
(4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CN=C(N)C1C |t:4|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-9-7(8)5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 930n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150920
PNG
(2-AMINOTHIAZOLINE | 4,5-dihydrothiazol-2-amine | C...)
Show SMILES NC1=NCCS1 |t:1|
Show InChI InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150928
PNG
(3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CN=C(N)C1C |t:3|
Show InChI InChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150929
PNG
(CHEMBL185441 | Octahydro-isoindol-(1Z)-ylideneamin...)
Show SMILES NC1=NCC2CCCCC12 |t:1|
Show InChI InChI=1S/C8H14N2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2,(H2,9,10)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066782
PNG
(5-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCC(N)=N1 |c:5|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066781
PNG
(3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCN=C1N |c:4|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150920
PNG
(2-AMINOTHIAZOLINE | 4,5-dihydrothiazol-2-amine | C...)
Show SMILES NC1=NCCS1 |t:1|
Show InChI InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066781
PNG
(3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCN=C1N |c:4|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066782
PNG
(5-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCC(N)=N1 |c:5|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066785
PNG
(4-Methyl-5-propyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCC1N=C(N)CC1C |t:4|
Show InChI InChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
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 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150915
PNG
(5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(C)C(N)=N1 |c:7|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066783
PNG
(4-Ethyl-pyrrolidin-(2E)-ylideneamine; hydrochlorid...)
Show SMILES CCC1CN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1 |t:3|
Show InChI InChI=1S/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12 |t:1|
Show InChI InChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066782
PNG
(5-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCC(N)=N1 |c:5|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150914
PNG
(4-Isopropyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL3...)
Show SMILES CC(C)C1CN=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-5(2)6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1 |t:1|
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1 |t:1|
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12 |t:1|
Show InChI InChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066785
PNG
(4-Methyl-5-propyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCC1N=C(N)CC1C |t:4|
Show InChI InChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150922
PNG
(4-Butyl-thiazolidin-(2E)-ylideneamine | CHEMBL3630...)
Show SMILES CCCCC1CSC(N)=N1 |c:8|
Show InChI InChI=1S/C7H14N2S/c1-2-3-4-6-5-10-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150915
PNG
(5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(C)C(N)=N1 |c:7|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150933
PNG
(4-Ethyl-5-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(N)=NC1C |c:5|
Show InChI InChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
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 Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50150928
PNG
(3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL...)
Show SMILES CC1CN=C(N)C1C |t:3|
Show InChI InChI=1S/C6H12N2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150910
PNG
(CHEMBL185535 | Hexahydro-pyrrolizin-(3E)-ylideneam...)
Show SMILES N=C1CCC2CCCN12
Show InChI InChI=1S/C7H12N2/c8-7-4-3-6-2-1-5-9(6)7/h6,8H,1-5H2
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1 |t:1|
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150921
PNG
(CHEMBL361419 | Hexahydro-cyclopenta[b]pyrrol-(2Z)-...)
Show SMILES NC1=NC2CCCC2C1 |t:1|
Show InChI InChI=1S/C7H12N2/c8-7-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2,(H2,8,9)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150936
PNG
(5-Ethyl-4-propyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCCC1CC(N)=NC1CC |c:6|
Show InChI InChI=1S/C9H18N2/c1-3-5-7-6-9(10)11-8(7)4-2/h7-8H,3-6H2,1-2H3,(H2,10,11)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150914
PNG
(4-Isopropyl-pyrrolidin-(2Z)-ylideneamine | CHEMBL3...)
Show SMILES CC(C)C1CN=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-5(2)6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150912
PNG
(5-Methyl-4-propyl-pyrrolidin-(2Z)-ylideneamine | C...)
Show SMILES CCCC1CC(N)=NC1C |c:6|
Show InChI InChI=1S/C8H16N2/c1-3-4-7-5-8(9)10-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,10)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150922
PNG
(4-Butyl-thiazolidin-(2E)-ylideneamine | CHEMBL3630...)
Show SMILES CCCCC1CSC(N)=N1 |c:8|
Show InChI InChI=1S/C7H14N2S/c1-2-3-4-6-5-10-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)
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Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
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