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PubMed code 9733492

Compile data set for download or QSAR
Found 54 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))		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 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066779
PNG
(5-Butyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCCCC1N=C(N)CC1C |t:5|
Show InChI InChI=1S/C9H18N2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
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n/an/a 660n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066779
PNG
(5-Butyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCCCC1N=C(N)CC1C |t:5|
Show InChI InChI=1S/C9H18N2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
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n/an/a 850n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 3.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(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 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 4.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 5.46E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 5.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 8.29E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 8.29E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 9.05E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 9.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 9.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.02E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 1.42E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 2.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066779
PNG
(5-Butyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCCCC1N=C(N)CC1C |t:5|
Show InChI InChI=1S/C9H18N2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 2.49E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 2.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(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 2.98E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
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n/an/a 3.83E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
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n/an/a 3.83E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 4.57E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
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 9.30E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 2.26E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 3.36E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 4.58E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
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n/an/a 4.58E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
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n/an/a 5.78E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
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n/an/a 1.68E+6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
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n/an/a 2.92E+6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50066776
PNG
(5-Benzyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C12H13F3N2/c13-12(14,15)9-7-11(16)17-10(9)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,16,17)
PDB

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n/an/a 2.92E+6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)

J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%