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PubMed code 25811913

Compile data set for download or QSAR
Found 8 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))
BDBM152698
PNG
((S)-2-Amino-5-formimidamidopentanoic acid (7))
Show SMILES N[C@@H](CCCNC=N)C(O)=O |r|
Show InChI InChI=1S/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1
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Article
PubMed
180n/a 400n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152697
PNG
((S)-5-Acetimidamido-2-aminopentanoic acid (4, L-NI...)
Show SMILES CC(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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Article
PubMed
3.65E+3n/a 8.10E+3n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152699
PNG
((S)-2-Amino-5-propionimidamidopentanoic acid (8) |...)
Show SMILES CCC(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
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PubMed
7.25E+3n/a 1.61E+4n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152700
PNG
((S)-2-Amino-5-butyrimidamidopentanoic acid (9) | h...)
Show SMILES CCCC(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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PubMed
8.61E+3n/a 1.91E+4n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152702
PNG
((S)-2-Amino-5-(3-methylbutanimidamido)pentanoic ac...)
Show SMILES CC(C)CC(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H21N3O2/c1-7(2)6-9(12)13-5-3-4-8(11)10(14)15/h7-8H,3-6,11H2,1-2H3,(H2,12,13)(H,14,15)/t8-/m0/s1
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PubMed
3.10E+4n/a 6.87E+4n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152701
PNG
((S)-2-Amino-5-isobutyrimidamidopentanoic acid (10))
Show SMILES CC(C)C(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C9H19N3O2/c1-6(2)8(11)12-5-3-4-7(10)9(13)14/h6-7H,3-5,10H2,1-2H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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6.52E+4n/a 1.38E+5n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152703
PNG
((S)-2-Amino-5-pivalimidamidopentanoic acid (12))
Show SMILES CC(C)(C)C(=N)NCCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H21N3O2/c1-10(2,3)9(12)13-6-4-5-7(11)8(14)15/h7H,4-6,11H2,1-3H3,(H2,12,13)(H,14,15)/t7-/m0/s1
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1.46E+5n/a 3.23E+5n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152704
PNG
((S)-2-Amino-5-benzimidamidopentanoic acid (13))
Show SMILES N[C@@H](CCCNC(=N)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C12H17N3O2/c13-10(12(16)17)7-4-8-15-11(14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H2,14,15)(H,16,17)/t10-/m0/s1
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2.40E+6n/a 5.33E+6n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%