Target Validation Information
TTD ID T02703
Target Name Nitric-oxide synthase inducible (NOS2)
Type of Target
Clinical trial
Drug Potency against Target Hydrocortisone Drug Info IC50 = 5 microM [17]
Drug Info Ki = 570 nM [15]
((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine Drug Info IC50 = 890 nM [1]
(4S,5R)-4,5-Diethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 130 nM [2]
(4S,5R)-4,5-Dimethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 150 nM [2]
(4S,5R)-4,5-Dipropyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 6800 nM [2]
(4S,5S)-4,5-Diethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 56 nM [2]
(4S,5S)-4,5-Dipropyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 2500 nM [2]
(5-Imino-[1,4]thiazepan-3-yl)-methanol Drug Info IC50 = 1100 nM [4]
(5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine Drug Info IC50 = 528 nM [5]
(5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine Drug Info IC50 = 186 nM [5]
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine Drug Info IC50 = 282 nM [13]
(R)-3-Propyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 1200 nM [4]
(S)-2-Amino-5-(N-methyl-guanidino)-pentanoic acid Drug Info IC50 = 14000 nM [16]
(S)-2-Amino-6-[(E)-ethylimino]-hexanoic acid Drug Info IC50 = 4600 nM [16]
(S)-3-Propyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 190 nM [4]
(S)-6-Amino-2-(2-imino-ethylamino)-hexanoic acid Drug Info IC50 = 2100 nM [4]
(S)-N-(1-phenylethyl)acetimidamide hydrobromide Drug Info IC50 = 450 nM [14]
1-(6-Amino-4-methylpyridin-2-yl)propan-2-ol Drug Info IC50 = 1776 nM [13]
1400W Drug Info IC50 = 330 nM [14]
2-(2-Amino-ethyl)-7-imino-azepane Drug Info IC50 = 701 nM [1]
2-amino-4-methylpyridine Drug Info IC50 = 120 nM [11]
2-Amino-5-(N-nitro-guanidino)-pentanoic acid Drug Info IC50 = 7600 nM [16]
2-Aminothiazoline Drug Info IC50 = 900 nM [3]
2-Methyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 3500 nM [4]
3,4-Dihydro-1H-quinolin-(2E)-ylideneamine Drug Info IC50 = 14000 nM [5]
3,4-Dimethyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 1200 nM [3]
3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane Drug Info IC50 = 6660 nM [1]
3-(2-Nitro-ethyl)-[1,4]oxazepan-(5Z)-ylideneamine Drug Info IC50 = 979 nM [1]
3-Bromo-1H-indazole-7-carbonitrile Drug Info IC50 = 5700 nM [10]
3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine Drug Info IC50 = 2430 nM [1]
3-Butyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 500 nM [4]
3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 310 nM [4]
3-Isobutyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 320 nM [4]
3-Methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 1500 nM [3]
3-Methyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 810 nM [4]
3-Propyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 290 nM [4]
4,5-Dimethyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 300 nM [3]
4-Butyl-thiazolidin-(2E)-ylideneamine Drug Info IC50 = 5200 nM [3]
4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 930 nM [3]
4-Ethyl-5-methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 160 nM [3]
4-Ethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 1600 nM [2]
4-Ethyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 500 nM [3]
4-Isopropyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 3500 nM [3]
4-Methyl-5-propyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 2000 nM [3]
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine Drug Info IC50 = 685 nM [13]
4-methyl-6-propylpyridin-2-amine Drug Info IC50 = 15 nM [11]
4-Methyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 1500 nM [2]
4-Methyl-piperidin-(2E)-ylideneamine Drug Info IC50 = 37 nM [5]
4-Methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 200 nM [3]
4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine Drug Info IC50 = 12000 nM [14]
5-Bromomethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 500 nM [2]
5-Ethyl-4-methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 20 nM [3]
5-Ethyl-4-propyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 10200 nM [3]
5-Ethyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 280 nM [2]
5-Methyl-4-propyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 13100 nM [3]
5-Methyl-oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 74 nM [2]
5-Methyl-pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 1300 nM [3]
6-(2-Fluoropropyl)-4-methylpyridin-2-amine Drug Info IC50 = 220 nM [13]
6-(3-Fluoropropyl)-4-methylpyridin-2-amine Drug Info IC50 = 57.6 nM [13]
6-(4-Fluorobutyl)-4-methylpyridin-2-amine Drug Info IC50 = 170 nM [13]
6-isobutyl-4-methylpyridin-2-amine Drug Info IC50 = 28 nM [13]
7-(2-Nitro-ethyl)-azepan-(2Z)-ylideneamine Drug Info IC50 = 152 nM [1]
7-Butyl-azepan-(2Z)-ylideneamine Drug Info IC50 = 517 nM [1]
7-Methyl-[1,4]thiazepan-(5E)-ylideneamine Drug Info IC50 = 3000 nM [4]
Aminothiazoline Drug Info IC50 = 18000 nM [12]
AR-C102222 Drug Info IC50 = 900 nM [11]
AR-C133057XX Drug Info IC50 = 1900 nM [11]
Azepan-(2Z)-ylideneamine Drug Info IC50 = 2060 nM [1]
Azocan-(2Z)-ylideneamine Drug Info IC50 = 9980 nM [1]
Azonan-(2Z)-ylideneamine Drug Info IC50 = 9800 nM [16]
CDDO Drug Info IC50 = 0.2 nM [6]
Curcumin Drug Info IC50 = 6000 nM [9]
Hexahydro-cyclopenta[c]pyrrol-(1Z)-ylideneamine Drug Info IC50 = 3100 nM [3]
L-NIL Drug Info IC50 = 280 nM [8]
N-(5-Amino-6-oxo-heptyl)-acetamidine Drug Info IC50 = 2100 nM [3]
N-benzylacetimidamide hydrobromide Drug Info IC50 = 200 nM [14]
Octahydro-isoindol-(1Z)-ylideneamine Drug Info IC50 = 1200 nM [3]
ONO-1714 Drug Info IC50 = 3 nM [2]
Oxazolidin-(2Z)-ylideneamine Drug Info IC50 = 7900 nM [2]
Piperidin-(2E)-ylideneamine Drug Info IC50 = 300 nM [5]
Pyrrolidin-(2Z)-ylideneamine Drug Info IC50 = 4100 nM [3]
THIOCITRULLINE Drug Info IC50 = 300 nM [7]
[1,3]Oxazinan-(2E)-ylideneamine Drug Info IC50 = 1800 nM [16]
[1,3]Thiazinan-(2E)-ylideneamine Drug Info IC50 = 2900 nM [16]
[1,4]Oxazepan-(3E)-ylideneamine Drug Info IC50 = 160 nM [4]
[1,4]Oxazepan-(5E)-ylideneamine Drug Info IC50 = 11800 nM [4]
[1,4]Thiazepan-(3E)-ylideneamine Drug Info IC50 = 1200 nM [4]
[1,4]Thiazepan-(5E)-ylideneamine Drug Info IC50 = 1400 nM [4]
[1,5]Thiazocan-(4E)-ylideneamine Drug Info IC50 = 13100 nM [1]
References
REF 1 Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase. Bioorg Med Chem Lett. 2001 Oct 8;11(19):2651-3.
REF 2 4,5-Disubstituted-1,3-oxazolidin-2-imine derivatives: a new class of orally bioavailable nitric oxide synthase inhibitor. Bioorg Med Chem Lett. 2004 Jan 19;14(2):313-6.
REF 3 Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4539-44.
REF 4 Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5907-11.
REF 5 Bicyclic amidine inhibitors of nitric oxide synthase: discovery of perhydro-iminopyrindine and perhydro-iminoquinoline as potent, orally active inh... Bioorg Med Chem Lett. 2005 Apr 15;15(8):1997-2001.
REF 6 Studies on the reactivity of CDDO, a promising new chemopreventive and chemotherapeutic agent: implications for a molecular mechanism of action. Bioorg Med Chem Lett. 2005 May 2;15(9):2215-9.
REF 7 Evaluation of 3-substituted arginine analogs as selective inhibitors of human nitric oxide synthase isozymes. Bioorg Med Chem Lett. 2005 Jun 2;15(11):2881-5.
REF 8 Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
REF 9 A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8.
REF 10 Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile. Bioorg Med Chem. 2008 Jun 1;16(11):5962-73.
REF 11 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat Chem Biol. 2008 Nov;4(11):700-7.
REF 12 The design, synthesis and biological evaluation of 7-alkoxy-4-heteroarylamino-3-cyanoquinolines as dual inhibitors of c-Src and iNOS. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6206-9.
REF 13 Design and synthesis of 2-amino-4-methylpyridine analogues as inhibitors for inducible nitric oxide synthase and in vivo evaluation of [18F]6-(2-fl... J Med Chem. 2009 Apr 23;52(8):2443-53.
REF 14 N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6495-9.
REF 15 Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives. J Med Chem. 2010 Nov 11;53(21):7804-24.
REF 16 2-Iminopiperidine and other 2-iminoazaheterocycles as potent inhibitors of human nitric oxide synthase isoforms. J Med Chem. 1996 Feb 2;39(3):669-72.
REF 17 The mode of action of aspirin-like drugs: effect on inducible nitric oxide synthase. Proc Natl Acad Sci U S A. 1995 Aug 15;92(17):7926-30.

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