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Compile Data Set for Download or QSAR

Found 350 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1
Show InChI InChI=1/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/s2
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3.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1
Show InChI InChI=1/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/s2
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4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrate


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50017018
PNG
(CHEMBL3183090)
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3
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4.30n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged human recombinant SphK1 expressed in baculovirus-infected Sf9 cells using sphingosine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1
Show InChI InChI=1/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/s2
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4.30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition b...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175282
PNG
(CHEMBL3809146)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(29-28-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
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40n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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47n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of SK1 (unknown origin)


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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47n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50077147
PNG
(CHEMBL3416846)
Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1
Show InChI InChI=1/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/s2
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48n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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50n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175281
PNG
(CHEMBL3809554)
Show SMILES Cl.CCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-12-18-13-11-14-19(17-18)20-26-22(28-27-20)23(15-16-23)21(24)25;/h11,13-14,17H,2-10,12,15-16H2,1H3,(H3,24,25);1H
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70n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343831
PNG
((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O2/c27-25(28)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-31-20-22-11-6-4-7-12-22/h14-17,22,24H,1-13,18-20H2,(H3,27,28)/t24-/m0/s1
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75n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241939
PNG
(US9421177, VPC143237)
Show SMILES N\C(=N/O)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1/C26H41N3O3/c27-25(28-31)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-32-20-22-11-6-4-7-12-22/h14-17,22,24,31H,1-13,18-20H2,(H2,27,28)/t24-/s2
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75n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343827
PNG
(CHEMBL1774569 | N-(1-Carbamimidoylcyclopropyl)-11-...)
Show SMILES NC(=N)C1(CC1)NC(=O)CCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O2/c23-21(24)22(15-16-22)25-20(26)14-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)
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95n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343832
PNG
((S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1
Show InChI InChI=1S/C27H43N3O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22/h17-20,22,25H,1-16,21H2,(H3,28,29)/t25-/m0/s1
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99n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175280
PNG
(CHEMBL3809162)
Show SMILES Cl.CCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18(16-17)19-25-21(27-26-19)22(14-15-22)20(23)24;/h10,12-13,16H,2-9,11,14-15H2,1H3,(H3,23,24);1H
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100n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241937
PNG
(US9421177, VPC96091)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/s2
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100n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343821
PNG
(1-Carbamimidoyl-N-(10-(cyclohexylmethoxy)decyl)cyc...)
Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O2/c23-20(24)22(14-15-22)21(26)25-16-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)
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110n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343836
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)thiazol-2...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(cs1)-c1cccc(CCC2CCCCC2)c1
Show InChI InChI=1S/C29H34N4OS/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241924
PNG
(US9421177, VPC143144)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C22H41N3O3/c23-20(25-27)22(14-15-22)21(26)24-16-10-5-3-1-2-4-6-11-17-28-18-19-12-8-7-9-13-19/h19,27H,1-18H2,(H2,23,25)(H,24,26)
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110n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343829
PNG
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343829
PNG
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343833
PNG
((S)-1-(11-(Cyclohexylmethoxy)undecanoyl)pyrrolidin...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1
Show InChI InChI=1S/C23H43N3O2/c24-23(25)21-15-12-17-26(21)22(27)16-10-5-3-1-2-4-6-11-18-28-19-20-13-8-7-9-14-20/h20-21H,1-19H2,(H3,24,25)/t21-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241927
PNG
(US9421177, VPC14a1051)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-24(28-30)25(16-17-25)27-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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130n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343823
PNG
(CHEMBL1774565 | N-(1-Carbamimidoylcyclopropyl)-4-(...)
Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O2/c26-24(27)25(16-17-25)28-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)
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130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241926
PNG
(US9421177, VPC143154)
Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-23(27-29)24(15-16-24)26-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-30-18-20-9-5-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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US Patent
170n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343824
PNG
(CHEMBL1774566 | N-(1-Carbamimidoylcyclopropyl)-4-(...)
Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c25-23(26)24(15-16-24)27-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-29-18-20-9-5-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)
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170n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175287
PNG
(CHEMBL3810270)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nnc(o1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-28-23(29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
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200n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241906
PNG
(US9421177, VPC96047)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)25-23(17-18-23)22(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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200n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50438113
PNG
(CHEMBL1092481)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)
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200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241922
PNG
(US9421177, VPC143105)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)
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240n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343818
PNG
(1-Carbamimidoyl-N-(4-(7-(cyclohexylmethoxy)heptyl)...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C25H39N3O2/c26-23(27)25(16-17-25)24(29)28-22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)
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240n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175276
PNG
(CHEMBL3809326)
Show SMILES Cl.CCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)20-26-22(28-27-20)23(16-17-23)21(24)25;/h12-15H,2-11,16-17H2,1H3,(H3,24,25);1H
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260n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241915
PNG
(US9421177, VPC143064)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25-22(27)23(17-18-23)21(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)
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US Patent
300n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241936
PNG
(US9421177, VPC96077)
Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O
Show InChI InChI=1/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/s2
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300n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175277
PNG
(CHEMBL3809675)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
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320n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241921
PNG
(US9421177, VPC143113)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C24H37N3O3/c25-22(27-29)24(15-16-24)23(28)26-21-13-11-19(12-14-21)8-4-1-2-7-17-30-18-20-9-5-3-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)
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390n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343817
PNG
(1-Carbamimidoyl-N-(4-(6-(cyclohexylmethoxy)hexyl)p...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c25-22(26)24(15-16-24)23(28)27-21-13-11-19(12-14-21)8-4-1-2-7-17-29-18-20-9-5-3-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)
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390n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175285
PNG
(CHEMBL3809605)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nc(no1)C1(CC1)C(N)=N
Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H
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400n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241914
PNG
(US9421177, VPC143081)
Show SMILES CCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)24-21(26)22(16-17-22)20(23)25-27/h12-15,27H,2-11,16-17H2,1H3,(H2,23,25)(H,24,26)
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400n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50175275
PNG
(CHEMBL3809598)
Show SMILES Cl.CCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-25-21(27-26-19)22(15-16-22)20(23)24;/h11-14H,2-10,15-16H2,1H3,(H3,23,24);1H
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440n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...


ACS Med Chem Lett 7: 487-92 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241925
PNG
(US9421177, VPC14a1058)
Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)
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450n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343822
PNG
(1-carbamimidoyl-N-(10-(cyclopentylmethoxy)decyl)cy...)
Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1
Show InChI InChI=1S/C21H39N3O2/c22-19(23)21(13-14-21)20(25)24-15-9-5-3-1-2-4-6-10-16-26-17-18-11-7-8-12-18/h18H,1-17H2,(H3,22,23)(H,24,25)
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450n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343815
PNG
(1-Carbamimidoyl-N-(4-(9-phenylnonyl)phenyl)cyclopr...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O/c27-24(28)26(19-20-26)25(30)29-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18H,1-5,7-8,11,14,19-20H2,(H3,27,28)(H,29,30)
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500n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241919
PNG
(US9421177, VPC143129)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)
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500n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50177007
PNG
(CHEMBL3814505)
Show SMILES Cl.CCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N
Show InChI InChI=1/C22H27N5O3.ClH/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24;/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24);1H/t18-,19-;/s2
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730n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...


ACS Med Chem Lett 7: 229-34 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241932
PNG
(US9421177, VPC95291)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC1(CC1)C(\N)=N\O
Show InChI InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)22-20(16-17-20)19(21)23-25/h25H,2-17H2,1H3,(H2,21,23)(H,22,24)
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750n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343819
PNG
(1-Carbamimidoyl-N-(4-(8-(cyclohexylmethoxy)octyl)p...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O2/c27-24(28)26(17-18-26)25(30)29-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-31-20-22-11-7-5-8-12-22/h13-16,22H,1-12,17-20H2,(H3,27,28)(H,29,30)
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800n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM241923
PNG
(US9421177, VPC143126)
Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1
Show InChI InChI=1S/C26H41N3O3/c27-24(29-31)26(17-18-26)25(30)28-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-32-20-22-11-7-5-8-12-22/h13-16,22,31H,1-12,17-20H2,(H2,27,29)(H,28,30)
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800n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...


US Patent US9421177 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50177008
PNG
(CHEMBL3814234)
Show SMILES Cl.CC(C)COc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N
Show InChI InChI=1/C21H25N5O3.ClH/c1-12(2)11-28-16-6-5-13-9-15(4-3-14(13)10-16)19-24-20(29-25-19)18-17(27)7-8-26(18)21(22)23;/h3-6,9-10,12,17-18,27H,7-8,11H2,1-2H3,(H3,22,23);1H/t17-,18-;/s2
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930n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...


ACS Med Chem Lett 7: 229-34 (2016)

More data for this
Ligand-Target Pair
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