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PubMed code 15808455

Compile data set for download or QSAR
Found 39 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))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164784
PNG
((4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-yliden...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164784
PNG
((4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-yliden...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1 |t:4|
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 146n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164780
PNG
(4-Methyl-3,4-dihydro-1H-quinolin-(2E)-ylideneamine...)
Show SMILES CC1CC(N)=Nc2ccccc12 |c:4|
Show InChI InChI=1S/C10H12N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3,(H2,11,12)
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1 |t:1|
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 246n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1 |t:1|
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 528n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1 |t:1|
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164776
PNG
((4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCCC[C@H]12 |c:4|
Show InChI InChI=1S/C11H20N2/c1-8-7-11(12)13-10-6-4-2-3-5-9(8)10/h8-10H,2-7H2,1H3,(H2,12,13)/t8-,9-,10-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164784
PNG
((4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-yliden...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4|
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164780
PNG
(4-Methyl-3,4-dihydro-1H-quinolin-(2E)-ylideneamine...)
Show SMILES CC1CC(N)=Nc2ccccc12 |c:4|
Show InChI InChI=1S/C10H12N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3,(H2,11,12)
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n/an/a 974n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50164776
PNG
((4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCCC[C@H]12 |c:4|
Show InChI InChI=1S/C11H20N2/c1-8-7-11(12)13-10-6-4-2-3-5-9(8)10/h8-10H,2-7H2,1H3,(H2,12,13)/t8-,9-,10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164776
PNG
((4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCCC[C@H]12 |c:4|
Show InChI InChI=1S/C11H20N2/c1-8-7-11(12)13-10-6-4-2-3-5-9(8)10/h8-10H,2-7H2,1H3,(H2,12,13)/t8-,9-,10-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50062129
PNG
(3,4-Dihydro-1H-quinolin-(2E)-ylideneamine | 3,4-Di...)
Show SMILES NC1=Nc2ccccc2CC1 |t:1|
Show InChI InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1 |t:1|
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50062129
PNG
(3,4-Dihydro-1H-quinolin-(2E)-ylideneamine | 3,4-Di...)
Show SMILES NC1=Nc2ccccc2CC1 |t:1|
Show InChI InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50164780
PNG
(4-Methyl-3,4-dihydro-1H-quinolin-(2E)-ylideneamine...)
Show SMILES CC1CC(N)=Nc2ccccc12 |c:4|
Show InChI InChI=1S/C10H12N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3,(H2,11,12)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50062129
PNG
(3,4-Dihydro-1H-quinolin-(2E)-ylideneamine | 3,4-Di...)
Show SMILES NC1=Nc2ccccc2CC1 |t:1|
Show InChI InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
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n/an/a 8.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)

Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%