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Literature summary for 3.4.23.15 extracted from

  • Politi, A.; Durdagi, S.; Moutevelis-Minakakis, P.; Kokotos, G.; Papadopoulos, M.G.; Mavromoustakos, T.
    Application of 3D QSAR CoMFA/CoMSIA and in silico docking studies on novel renin inhibitors against cardiovascular diseases (2009), Eur. J. Med. Chem., 44, 3703-3711.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[2-(piperidin-1-yl)ethyl]nonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[2-(pyridin-2-yl)ethyl]nonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[3-(1H-tetrazol-5-yl)propyl]nonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[3-(morpholin-4-yl)propyl]nonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-4-hydroxy-N-[(4-hydroxypiperidin-1-yl)methyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-7-[3-(2-amino-2-oxoethoxy)-4-methoxybenzyl]-N-butyl-4-hydroxy-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-7-[3-(2-amino-2-oxoethoxy)-4-tert-butylbenzyl]-N-butyl-4-hydroxy-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-(2-aminoethyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-(3-amino-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-(5-amino-5-oxopentyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[3-(3-hydroxypropoxy)-4-methoxybenzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(pentyloxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzyl]-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-butyl-7-[3-[2,2-dimethyl-3-(methylamino)-3-oxopropoxy]-4-methoxybenzyl]-4-hydroxy-2-methylnonanamide
-
Homo sapiens
(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[2-methyl-1-(morpholin-4-yl)propan-2-yl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[4-(methylamino)-4-oxobutyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(1-amino-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(2-amino-2-oxoethyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(3-amino-2-methyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
(2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
-
Homo sapiens
4-([(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]amino)butanoic acid
-
Homo sapiens
4-([(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]amino)butyl acetate
-
Homo sapiens
aliskiren
-
Homo sapiens
ethyl N-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]-beta-alaninate
-
Homo sapiens
methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-methoxyphenoxy]methanesulfinate
-
Homo sapiens
methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-tert-butylphenoxy]acetate
-
Homo sapiens
methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-tert-butylphenoxy]methanesulfinate
-
Homo sapiens
N-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]-beta-alanine
-
Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
angiotensinogen + H2O Homo sapiens
-
angiotensin I + angiotensinogen propeptide
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
-
Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
angiotensinogen + H2O
-
Homo sapiens angiotensin I + angiotensinogen propeptide
-
?

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000004
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.0000006
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.0000007
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.0000008
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[4-(methylamino)-4-oxobutyl]-2-(propan-2-yl)nonanamide
0.0000009
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(3-amino-2-methyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000001
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000001
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-(propan-2-yl)nonanamide
0.000001
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000002
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-(5-amino-5-oxopentyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000003
-
pH and temperature not specified in the publication Homo sapiens 4-([(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]amino)butanoic acid
0.000003
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[3-(1H-tetrazol-5-yl)propyl]nonanamide
0.000003
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(2-amino-2-oxoethyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens ethyl N-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]-beta-alaninate
0.000004
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(1-amino-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000004
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-(pentyloxy)benzyl]-2-methylnonanamide
0.000005
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-7-[3-[2,2-dimethyl-3-(methylamino)-3-oxopropoxy]-4-methoxybenzyl]-4-hydroxy-2-methylnonanamide
0.000006
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[3-(3-hydroxypropoxy)-4-methoxybenzyl]-2-methylnonanamide
0.000006
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(4-amino-4-oxobutan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000006
-
pH and temperature not specified in the publication Homo sapiens 4-([(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]amino)butyl acetate
0.000006
-
pH and temperature not specified in the publication Homo sapiens methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-tert-butylphenoxy]acetate
0.000007
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-(3-amino-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000008
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[2-(pyridin-2-yl)ethyl]nonanamide
0.00001
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-4-hydroxy-N-[(4-hydroxypiperidin-1-yl)methyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000011
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[3-(morpholin-4-yl)propyl]nonanamide
0.000012
-
pH and temperature not specified in the publication Homo sapiens N-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanoyl]-beta-alanine
0.000013
-
pH and temperature not specified in the publication Homo sapiens methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-tert-butylphenoxy]methanesulfinate
0.000013
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-(propan-2-yl)nonanamide
0.000016
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-(2-aminoethyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000016
-
pH and temperature not specified in the publication Homo sapiens (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-N-[2-methyl-1-(morpholin-4-yl)propan-2-yl]-2-(propan-2-yl)nonanamide
0.000018
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methylnonanamide
0.000019
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl]-2-methylnonanamide
0.00002
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-7-[3-(2-amino-2-oxoethoxy)-4-tert-butylbenzyl]-N-butyl-4-hydroxy-2-methylnonanamide
0.000022
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2-methyl-N-[2-(piperidin-1-yl)ethyl]nonanamide
0.000042
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzyl]-2-methylnonanamide
0.00005
-
pH and temperature not specified in the publication Homo sapiens methyl [5-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-2-ethyl-5-hydroxy-7-methyl-8-oxooctyl]-2-methoxyphenoxy]methanesulfinate
0.000092
-
pH and temperature not specified in the publication Homo sapiens (2R,4S,5S,7S)-5-amino-7-[3-(2-amino-2-oxoethoxy)-4-methoxybenzyl]-N-butyl-4-hydroxy-2-methylnonanamide