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Literature summary for 1.14.13.39 extracted from

  • Jackson, S.A.; Sahni, S.; Lee, L.; Luo, Y.; Nieduzak, T.R.; Liang, G.; Chiang, Y.; Collar, N.; Fink, D.; He, W.; Laoui, A.; Merrill, J.; Boffey, R.; Crackett, P.; Rees, B.; Wong, M.; Guilloteau, J.P.; Mathieu, M.; Rebello, S.S.
    Design, synthesis and characterization of a novel class of coumarin-based inhibitors of inducible nitric oxide synthase (2005), Bioorg. Med. Chem., 13, 2723-2739.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
1,5,6,7-tetrahydro-2H-azepin-2-imines
-
Rattus norvegicus
2-aminopyridine derivatives highly selective inhibitors Mus musculus
3,4-dihydro-1-isoquinolinamines
-
Mus musculus
4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.0076 mM Homo sapiens
4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.0119 mM Mus musculus
4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.0091 mM Rattus norvegicus
4-(3-amino-propoxy)-6-chloro-1H-quinolin-2-one trifluoroacetic acid salt IC50: 410 nM, pharmacokinetic profile Mus musculus
4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.004 mM Homo sapiens
4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.01 mM Mus musculus
4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.01 mM Rattus norvegicus
4-(3-dimethylamino-propoxy)-1H-quinolin-2-one IC50: 0.0026 mM Homo sapiens
4-(3-dimethylamino-propoxy)-1H-quinolin-2-one IC50: 0.0104 mM Mus musculus
4-(3-dimethylamino-propoxy)-1H-quinolin-2-one IC50: 0.010 mM Rattus norvegicus
6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 90 nM, pharmacokinetic profile Homo sapiens
6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 60 nM, pharmacokinetic profile Mus musculus
6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 0.00056 mM, pharmacokinetic profile Rattus norvegicus
6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.0041 mM Homo sapiens
6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.0012 mM Mus musculus
6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt IC50: 0.008 mM Rattus norvegicus
6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 0.00011mM Homo sapiens
6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 0.00025mM Mus musculus
6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt IC50: 0.00053mM Rattus norvegicus
AR-C102222 1,2-dihydro-4-quinazolinamine derivative Mus musculus
AR-C102222 1,2-dihydro-4-quinazolinamine derivative Rattus norvegicus
AR-C85016 1,2-dihydro-4-quinazolinamine derivative Mus musculus
AR-C85016 1,2-dihydro-4-quinazolinamine derivative Rattus norvegicus
L-thiocitrulline no isozyme specificity Mus musculus
additional information no inhibition by 4-(3-amino-propoxy)-6-chloro-1H-quinolin-2-one trifluoroacetic acid salt Homo sapiens
additional information inhibitory activity for coumarin derivatives, inhibitor screening, overview Mus musculus
additional information no inhibition by 4-(3-amino-propoxy)-6-chloro-1H-quinolin-2-one trifluoroacetic acid salt and thiocoumarin Rattus norvegicus
N-iminoethyl-L-lysine no isozyme specificity Mus musculus
N-iminoethyl-L-ornithine no isozyme specificity Mus musculus
NG-methyl-L-arginine no isozyme specificity Mus musculus
NG-Nitro-L-arginine no isozyme specificity Mus musculus
thiocoumarin IC50: 0.018 mM Homo sapiens
thiocoumarin weak inhibitor Mus musculus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2 L-arginine + 3 NADPH + 4 O2 + 3 H+ Homo sapiens
-
2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?
2 L-arginine + 3 NADPH + 4 O2 + 3 H+ Rattus norvegicus
-
2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?
2 L-arginine + 3 NADPH + 4 O2 + 3 H+ Mus musculus
-
2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Mus musculus P29477 inducible enzyme
-
Rattus norvegicus
-
inducible enzyme
-

Source Tissue

Source Tissue Comment Organism Textmining
brain
-
Mus musculus
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2 L-arginine + 3 NADPH + 4 O2 + 3 H+
-
Homo sapiens 2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?
2 L-arginine + 3 NADPH + 4 O2 + 3 H+
-
Rattus norvegicus 2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?
2 L-arginine + 3 NADPH + 4 O2 + 3 H+
-
Mus musculus 2 L-citrulline + 2 NO + 3 NADP+ + 4 H2O
-
?

Synonyms

Synonyms Comment Organism
nitric oxide synthase
-
Homo sapiens
nitric oxide synthase
-
Rattus norvegicus
nitric oxide synthase
-
Mus musculus
NOS
-
Homo sapiens
NOS
-
Rattus norvegicus
NOS
-
Mus musculus

Cofactor

Cofactor Comment Organism Structure
NADPH
-
Homo sapiens
NADPH
-
Rattus norvegicus
NADPH
-
Mus musculus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00006
-
IC50: 60 nM, pharmacokinetic profile Mus musculus 6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.00009
-
IC50: 90 nM, pharmacokinetic profile Homo sapiens 6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.00011
-
IC50: 0.00011mM Homo sapiens 6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.00025
-
IC50: 0.00025mM Mus musculus 6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.00041
-
IC50: 410 nM, pharmacokinetic profile Mus musculus 4-(3-amino-propoxy)-6-chloro-1H-quinolin-2-one trifluoroacetic acid salt
0.00053
-
IC50: 0.00053mM Rattus norvegicus 6-chloro-4-(3-methylamino-propoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.00056
-
IC50: 0.00056 mM, pharmacokinetic profile Rattus norvegicus 6-chloro-4-(3-aminopropoxy)-1-benzopyran-2-one trifluoroacetic acid salt
0.0012
-
IC50: 0.0012 mM Mus musculus 6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.0026
-
IC50: 0.0026 mM Homo sapiens 4-(3-dimethylamino-propoxy)-1H-quinolin-2-one
0.004
-
IC50: 0.004 mM Homo sapiens 4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.0041
-
IC50: 0.0041 mM Homo sapiens 6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.0076
-
IC50: 0.0076 mM Homo sapiens 4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.008
-
IC50: 0.008 mM Rattus norvegicus 6-chloro-4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.0091
-
IC50: 0.0091 mM Rattus norvegicus 4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.01
-
IC50: 0.01 mM Rattus norvegicus 4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.01
-
IC50: 0.01 mM Mus musculus 4-(3-dimethylamino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.01
-
IC50: 0.010 mM Rattus norvegicus 4-(3-dimethylamino-propoxy)-1H-quinolin-2-one
0.0104
-
IC50: 0.0104 mM Mus musculus 4-(3-dimethylamino-propoxy)-1H-quinolin-2-one
0.0119
-
IC50: 0.0119 mM Mus musculus 4-(3-amino-propoxy)-1-benzopyran-2-one hydrochloric acid salt
0.018
-
IC50: 0.018 mM Homo sapiens thiocoumarin