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Literature summary extracted from

  • Houck, J.D.; Dawson, T.K.; Kennedy, A.J.; Kharel, Y.; Naimon, N.D.; Field, S.D.; Lynch, K.R.; Macdonald, T.L.
    Structural requirements and docking analysis of amidine-based sphingosine kinase 1 inhibitors containing oxadiazoles (2016), ACS Med. Chem. Lett., 7, 487-492 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.91 (2S)-1-(3-dodecylbenzoyl)pyrrolidine-2-carboximidamide
-
 Homo sapiens
2.7.1.91 (2S)-1-(4-[4-[3-(2-cyclohexylethyl)phenyl]-1,3-oxazol-2-yl]benzoyl)pyrrolidine-2-carboximidamide
-
 Homo sapiens
2.7.1.91 (2S)-1-[3-[7-(cyclohexylmethoxy)heptyl]benzoyl]pyrrolidine-2-carboximidamide
-
 Homo sapiens
2.7.1.91 1-carbamimidoyl-N-(3-dodecylphenyl)cyclopropane-1-carboxamide
-
 Homo sapiens
2.7.1.91 1-[3-(3-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(3-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(3-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(3-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(4-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(4-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[3-(4-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[5-(3-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[5-(4-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 1-[5-(4-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide
-
 Homo sapiens
2.7.1.91 N-(1-carbamimidoylcyclopropyl)-3-dodecylbenzamide
-
 Homo sapiens
2.7.1.91 N-(1-carbamimidoylcyclopropyl)-4-dodecylbenzamide
-
 Homo sapiens
2.7.1.91 N-[(2S)-1-amino-1-iminopropan-2-yl]-3-octylbenzamide
-
 Homo sapiens
2.7.1.91 VPC94075
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.1.91 ATP + sphingosine Homo sapiens
-
 ADP + sphingosine 1-phosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.91 Homo sapiens Q9NRA0
-
-
2.7.1.91 Homo sapiens Q9NYA1
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.91 ATP + sphingosine
-
 Homo sapiens ADP + sphingosine 1-phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.1.91 sphingosine kinase 1
-
 Homo sapiens
2.7.1.91 sphingosine kinase 2
-
 Homo sapiens
2.7.1.91 SPHK1 isoform Homo sapiens
2.7.1.91 SPHK2 isoform Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.7.1.91 0.00004
-
 1-[3-(3-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.000047
-
 (2S)-1-(4-[4-[3-(2-cyclohexylethyl)phenyl]-1,3-oxazol-2-yl]benzoyl)pyrrolidine-2-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.00007
-
 1-[3-(3-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.000075
-
 (2S)-1-[3-[7-(cyclohexylmethoxy)heptyl]benzoyl]pyrrolidine-2-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0001
-
 1-[3-(3-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.000125
-
 (2S)-1-(3-dodecylbenzoyl)pyrrolidine-2-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0002
-
 1-[5-(3-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0002
-
 N-(1-carbamimidoylcyclopropyl)-3-dodecylbenzamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0003
-
 1-carbamimidoyl-N-(3-dodecylphenyl)cyclopropane-1-carboxamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.00032
-
 1-[3-(4-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0004
-
 1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.00044
-
 1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0005
-
 N-(1-carbamimidoylcyclopropyl)-3-dodecylbenzamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.00098
-
 1-[3-(3-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0012
-
 1-[5-(4-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0015
-
 (2S)-1-(3-dodecylbenzoyl)pyrrolidine-2-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0016
-
 1-[5-(4-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0025
-
 1-[3-(4-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.003
-
 1-[5-(4-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.003
-
 (2S)-1-[3-[7-(cyclohexylmethoxy)heptyl]benzoyl]pyrrolidine-2-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0034
-
 1-[5-(4-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0042
-
 (2S)-1-(4-[4-[3-(2-cyclohexylethyl)phenyl]-1,3-oxazol-2-yl]benzoyl)pyrrolidine-2-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0046
-
 N-(1-carbamimidoylcyclopropyl)-4-dodecylbenzamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.006
-
 1-carbamimidoyl-N-(3-dodecylphenyl)cyclopropane-1-carboxamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.006
-
 1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.008
-
 1-[3-(4-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0081
-
 1-[5-(3-dodecylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0099
-
 1-[3-(3-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0102
-
 1-[5-(3-dodecylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0103
-
 1-[3-(3-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0109
-
 N-(1-carbamimidoylcyclopropyl)-4-dodecylbenzamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.011
-
 1-[3-(4-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0117
-
 1-[3-(3-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.0141
-
 1-[3-(3-dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.02
-
 VPC94075 isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.043
-
 1-[3-(4-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK2, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.055
-
 1-[3-(4-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.055
-
 N-[(2S)-1-amino-1-iminopropan-2-yl]-3-octylbenzamide isoform SphK1, pH and temperature not specified in the publication Homo sapiens
2.7.1.91 0.055
-
 VPC94075 isoform SphK1, pH and temperature not specified in the publication Homo sapiens