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PubMed code 9397167

Compile data set for download or QSAR
Found 15 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


(Mus musculus (mouse))
BDBM50061231
PNG
(2-Amino-5-(N'-propyl-guanidino)-pentanoic acid | C...)
Show SMILES CCCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)
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1.80n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50061231
PNG
(2-Amino-5-(N'-propyl-guanidino)-pentanoic acid | C...)
Show SMILES CCCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)
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57n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50061230
PNG
(1-Acetyl-4-(N'-allyl-guanidino)-butyl-ammonium)
Show SMILES CC(=O)C([NH3+])CCCNC(=N)NCC=C
Show InChI InChI=1S/C10H20N4O/c1-3-6-13-10(12)14-7-4-5-9(11)8(2)15/h3,9H,1,4-7,11H2,2H3,(H3,12,13,14)/p+1
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200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50061232
PNG
(2-Amino-5-(N'-prop-2-ynyl-guanidino)-pentanoic aci...)
Show SMILES [NH3+]C(CCCNC(=N)NCC#C)C([O-])=O
Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)
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430n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50061232
PNG
(2-Amino-5-(N'-prop-2-ynyl-guanidino)-pentanoic aci...)
Show SMILES [NH3+]C(CCCNC(=N)NCC#C)C([O-])=O
Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)
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620n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50061232
PNG
(2-Amino-5-(N'-prop-2-ynyl-guanidino)-pentanoic aci...)
Show SMILES [NH3+]C(CCCNC(=N)NCC#C)C([O-])=O
Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)
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810n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Endothelial nitric oxide synthase


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50061230
PNG
(1-Acetyl-4-(N'-allyl-guanidino)-butyl-ammonium)
Show SMILES CC(=O)C([NH3+])CCCNC(=N)NCC=C
Show InChI InChI=1S/C10H20N4O/c1-3-6-13-10(12)14-7-4-5-9(11)8(2)15/h3,9H,1,4-7,11H2,2H3,(H3,12,13,14)/p+1
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2.10E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50061230
PNG
(1-Acetyl-4-(N'-allyl-guanidino)-butyl-ammonium)
Show SMILES CC(=O)C([NH3+])CCCNC(=N)NCC=C
Show InChI InChI=1S/C10H20N4O/c1-3-6-13-10(12)14-7-4-5-9(11)8(2)15/h3,9H,1,4-7,11H2,2H3,(H3,12,13,14)/p+1
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3.10E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Endothelial nitric oxide synthase


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50030279
PNG
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)
Show SMILES CNC(=N)NCCCC(N)C(O)=O
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)
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5.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Endothelial nitric oxide synthase


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50061233
PNG
(2-Amino-5-(N'-ethyl-guanidino)-pentanoic acid | CH...)
Show SMILES CCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)
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6.10E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50061231
PNG
(2-Amino-5-(N'-propyl-guanidino)-pentanoic acid | C...)
Show SMILES CCCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)
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PubMed
8.50E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Endothelial nitric oxide synthase


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50061233
PNG
(2-Amino-5-(N'-ethyl-guanidino)-pentanoic acid | CH...)
Show SMILES CCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)
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9.50E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Endothelial nitric oxide synthase


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50030279
PNG
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)
Show SMILES CNC(=N)NCCCC(N)C(O)=O
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)
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1.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50030279
PNG
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)
Show SMILES CNC(=N)NCCCC(N)C(O)=O
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)
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1.40E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50061233
PNG
(2-Amino-5-(N'-ethyl-guanidino)-pentanoic acid | CH...)
Show SMILES CCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)
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1.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%