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Literature summary for 3.4.14.5 extracted from

  • Lu, I.L.; Tsai, K.C.; Chiang, Y.K.; Jiaang, W.T.; Wu, S.H.; Mahindroo, N.; Chien, C.H.; Lee, S.J.; Chen, X.; Chao, Y.S.; Wu, S.Y.
    A three-dimensional pharmacophore model for dipeptidyl peptidase IV inhibitors (2007), Eur. J. Med. Chem., 43, 1603-1611.
    View publication on PubMed
Search for more literature for 3.4.14.5

Application

Application Comment Organism
drug development a three-dimensional pharmacophore model is a useful tool for designing novel DPP-IV inhibitors Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(1S)-1-cyclohexyl-2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethanamine
-
 Homo sapiens
(1S)-1-cyclohexyl-2-(3-fluoropyrrolidin-1-yl)-2-oxoethanamine
-
 Homo sapiens
(1S)-1-cyclohexyl-2-oxo-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanamine
-
 Homo sapiens
(2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-pyrido[2,1-a]isoquinoline-2,11b-diamine
-
 Homo sapiens
1-(6-chloro-2-isobutyl-4-phenyl-3,4-dihydroquinolin-3-yl)methanamine
-
 Homo sapiens
1-[amino(cyclohexyl)acetyl]pyrrolidine-2-carbonitrile
-
 Homo sapiens
3-(aminomethyl)-2-isobutyl-4-phenylisoquinolin-1(2H)-one
-
 Homo sapiens
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
-
 Homo sapiens
5-(aminomethyl)-6-(2,4-dichlorophenyl)-N2-(2-methoxyethyl)-N2-methylpyrimidine-2,4-diamine
-
 Homo sapiens
6-[[2-([2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino)ethyl]amino]nicotinonitrile
-
 Homo sapiens
additional information a three-dimensional pharmacophore model is a useful tool for designing novel DPP-IV inhibitors Homo sapiens
N,N-diallyl-3-(bicyclo[3.2.0]hept-6-ylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
-
 Homo sapiens
P-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphonic diamide
-
 Homo sapiens
[(R)-amino[(3S)-3-amino-2-oxoazepan-1-yl]phosphoryl]sulfamic acid
-
 Homo sapiens
[(R)-amino[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
-
 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
 recombinant
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Gly-Pro-p-nitroanilide + H2O
-
 Homo sapiens Gly-Pro + p-nitroaniline
-
 ?

Synonyms

Synonyms Comment Organism
DPP-IV
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000009
-
 pH 8.0, 37°C Homo sapiens 5-(aminomethyl)-6-(2,4-dichlorophenyl)-N2-(2-methoxyethyl)-N2-methylpyrimidine-2,4-diamine
0.000011
-
 pH 8.0, 37°C Homo sapiens P-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphonic diamide
0.000012
-
 pH 8.0, 37°C Homo sapiens 1-[amino(cyclohexyl)acetyl]pyrrolidine-2-carbonitrile
0.000021
-
 pH 8.0, 37°C Homo sapiens N,N-diallyl-3-(bicyclo[3.2.0]hept-6-ylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
0.000021
-
 pH 8.0, 37°C Homo sapiens [(R)-amino[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
0.000022
-
 pH 8.0, 37°C Homo sapiens 6-[[2-([2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino)ethyl]amino]nicotinonitrile
0.000025
-
 pH 8.0, 37°C Homo sapiens [(R)-amino[(3S)-3-amino-2-oxoazepan-1-yl]phosphoryl]sulfamic acid
0.000039
-
 pH 8.0, 37°C Homo sapiens (1S)-1-cyclohexyl-2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethanamine
0.000073
-
 pH 8.0, 37°C Homo sapiens (1S)-1-cyclohexyl-2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethanamine
0.00011
-
 pH 8.0, 37°C Homo sapiens (1S)-1-cyclohexyl-2-oxo-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanamine
0.00017
-
 pH 8.0, 37°C Homo sapiens (1S)-1-cyclohexyl-2-(3-fluoropyrrolidin-1-yl)-2-oxoethanamine
0.00025
-
 pH 8.0, 37°C Homo sapiens 3-(aminomethyl)-2-isobutyl-4-phenylisoquinolin-1(2H)-one
0.00032
-
 pH 8.0, 37°C Homo sapiens (1R,4R,6S,10S)-6,10-dihydroxy-4-methyl-2-oxabicyclo[4.3.1]dec-7-ene-8-carboxylic acid
0.00037
-
 pH 8.0, 37°C Homo sapiens 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
0.00052
-
 pH 8.0, 37°C Homo sapiens (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-pyrido[2,1-a]isoquinoline-2,11b-diamine
0.00071
-
 pH 8.0, 37°C Homo sapiens 1-(6-chloro-2-isobutyl-4-phenyl-3,4-dihydroquinolin-3-yl)methanamine