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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'fok' and Initial = 'kf'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062142
PNG
(4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...)
Show SMILES CC1CC(C)N=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)
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PubMed
n/an/a 60n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062142
PNG
(4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...)
Show SMILES CC1CC(C)N=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 80n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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 100n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
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, 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 200n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062132
PNG
(6-Propyl-piperidin-(2Z)-ylideneamine | CHEMBL6760)
Show SMILES CCCC1CCCC(N)=N1 |c:8|
Show InChI InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)
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n/an/a 200n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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, endothelial


(Homo sapiens (Human))
BDBM50062142
PNG
(4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...)
Show SMILES CC1CC(C)N=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 300n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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))
BDBM50062137
PNG
(6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...)
Show SMILES CC1CCCC(N)=N1 |c:6|
Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 400n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50049252
PNG
(2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...)
Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
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))
BDBM50062131
PNG
(6-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...)
Show SMILES NC1=NC(CCC1)C(F)(F)F |t:1|
Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062137
PNG
(6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...)
Show SMILES CC1CCCC(N)=N1 |c:6|
Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062131
PNG
(6-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...)
Show SMILES NC1=NC(CCC1)C(F)(F)F |t:1|
Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049252
PNG
(2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...)
Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062132
PNG
(6-Propyl-piperidin-(2Z)-ylideneamine | CHEMBL6760)
Show SMILES CCCC1CCCC(N)=N1 |c:8|
Show InChI InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50062137
PNG
(6-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26567...)
Show SMILES CC1CCCC(N)=N1 |c:6|
Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 600n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
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))
BDBM50062145
PNG
(3-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26716...)
Show SMILES CC1CCCN=C1N |c:5|
Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 700n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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, brain


(Homo sapiens (Human))
BDBM50062136
PNG
(6-Benzyl-piperidin-(2Z)-ylideneamine | CHEMBL6875)
Show SMILES NC1=NC(Cc2ccccc2)CCC1 |t:1|
Show InChI InChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)
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n/an/a 900n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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 1.00E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
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 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
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, brain


(Homo sapiens (Human))
BDBM50062135
PNG
(4-Ethyl-piperidin-(2Z)-ylideneamine | CHEMBL6813)
Show SMILES CCC1CCN=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-2-6-3-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9)
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n/an/a 1.60E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049258
PNG
(CHEMBL161118 | [1,3]Oxazinan-(2E)-ylideneamine)
Show SMILES NC1=NCCCO1 |t:1|
Show InChI InChI=1S/C4H8N2O/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
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n/an/a 1.80E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50062131
PNG
(6-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...)
Show SMILES NC1=NC(CCC1)C(F)(F)F |t:1|
Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h4H,1-3H2,(H2,10,11)
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n/an/a 2.00E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
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n/an/a 2.00E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50062132
PNG
(6-Propyl-piperidin-(2Z)-ylideneamine | CHEMBL6760)
Show SMILES CCCC1CCCC(N)=N1 |c:8|
Show InChI InChI=1S/C8H16N2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3,(H2,9,10)
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n/an/a 2.20E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062135
PNG
(4-Ethyl-piperidin-(2Z)-ylideneamine | CHEMBL6813)
Show SMILES CCC1CCN=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-2-6-3-4-9-7(8)5-6/h6H,2-5H2,1H3,(H2,8,9)
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n/an/a 2.60E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049250
PNG
(CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...)
Show SMILES NC1=NCCCS1 |t:1|
Show InChI InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
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n/an/a 2.90E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50062145
PNG
(3-Methyl-piperidin-(2Z)-ylideneamine | CHEMBL26716...)
Show SMILES CC1CCCN=C1N |c:5|
Show InChI InChI=1S/C6H12N2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 3.00E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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, brain


(Homo sapiens (Human))
BDBM50049250
PNG
(CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...)
Show SMILES NC1=NCCCS1 |t:1|
Show InChI InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
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n/an/a 3.20E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062138
PNG
(4-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...)
Show SMILES NC1=NCCC(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h4H,1-3H2,(H2,10,11)
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n/an/a 3.20E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062138
PNG
(4-Trifluoromethyl-piperidin-(2Z)-ylideneamine | CH...)
Show SMILES NC1=NCCC(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C6H9F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h4H,1-3H2,(H2,10,11)
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n/an/a 3.30E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062140
PNG
(4,4-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL6...)
Show SMILES CC1(C)CCN=C(N)C1 |t:5|
Show InChI InChI=1S/C7H14N2/c1-7(2)3-4-9-6(8)5-7/h3-5H2,1-2H3,(H2,8,9)
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Article
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n/an/a 3.40E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
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
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