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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' AND taxid = 10090   
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 2


(Mus musculus)
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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1.50E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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3.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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4.20E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343820
PNG
(CHEMBL1774562 | N-(4-(7-((Adamantan-1-ylmethoxy)he...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C29H43N3O2/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33)
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4.60E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343828
PNG
(CHEMBL1774570 | N-(1-Carbamimidoylcyclobutyl)-4-do...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CCC1)C(N)=N
Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28)
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5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343830
PNG
((R)-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-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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5.30E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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7.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343811
PNG
(1-Carbamimidoyl-N-tetradecylcyclopropanecarboxamid...)
Show SMILES CCCCCCCCCCCCCCNC(=O)C1(CC1)C(N)=N
Show InChI InChI=1S/C19H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(23)19(14-15-19)17(20)21/h2-16H2,1H3,(H3,20,21)(H,22,23)
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7.50E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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8.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359977
PNG
(CHEMBL1927590)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C25H44N/c1-5-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(3,4)21-6-2/h13-16,24-25H,5-12,17-21H2,1-4H3/q+1/t24-,25-
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8.00E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359976
PNG
(CHEMBL1927588)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)C
Show InChI InChI=1S/C23H40N/c1-5-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(2,3)4/h12-15,22-23H,5-11,16-19H2,1-4H3/q+1/t22-,23-
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8.00E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343826
PNG
(CHEMBL1774568 | N-(1-carbamimidoylcyclopropyl)-4-(...)
Show SMILES CCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-17-27-19-13-11-18(12-14-19)20(26)25-22(15-16-22)21(23)24/h11-14H,2-10,15-17H2,1H3,(H3,23,24)(H,25,26)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343816
PNG
(1-carbamimidoyl-N-(4-(8-phenyloctyl)phenyl)cyclopr...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O/c26-23(27)25(18-19-25)24(29)28-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20/h5,8-9,11-12,14-17H,1-4,6-7,10,13,18-19H2,(H3,26,27)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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1.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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1.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359979
PNG
(CHEMBL1927596)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCO
Show InChI InChI=1S/C24H42NO/c1-4-5-6-7-8-9-10-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(2,3)19-20-26/h11-14,23-24,26H,4-10,15-20H2,1-3H3/q+1/t23-,24-
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1.40E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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1.80E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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>2.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343834
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)-1H-imida...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(c[nH]1)-c1cccc(CCC2CCCCC2)c1
Show InChI InChI=1S/C29H35N5O/c30-27(31)26-10-5-17-34(26)29(35)23-15-13-22(14-16-23)28-32-19-25(33-28)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)(H,32,33)/t26-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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2.50E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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2.60E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359975
PNG
(CHEMBL1927583)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)N(C)C
Show InChI InChI=1S/C22H37N/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)21-15-17-22(18-16-21)23(2)3/h11-14,21-22H,4-10,15-18H2,1-3H3/t21-,22-
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2.70E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359974
PNG
(CHEMBL1927581)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C20H33N/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21)16-14-19/h9-12,19-20H,2-8,13-16,21H2,1H3/t19-,20-
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2.90E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50299323
PNG
((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1
Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359978
PNG
(CHEMBL1927592)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)C(C)C
Show InChI InChI=1S/C25H44N/c1-6-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(4,5)21(2)3/h13-16,21,24-25H,6-12,17-20H2,1-5H3/q+1/t24-,25-
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3.30E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
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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3.30E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359973
PNG
(CHEMBL1927579)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCCO
Show InChI InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-18-24/h9-12,21-24H,2-8,13-18H2,1H3/t21-,22-
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3.80E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343814
PNG
(CHEMBL1774556 | N-(4-(7-(Benzyloxy)heptyl)phenyl)-...)
Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCc2ccccc2)cc1
Show InChI InChI=1S/C25H33N3O2/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/h4,6-7,10-15H,1-3,5,8-9,16-19H2,(H3,26,27)(H,28,29)
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3.80E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50359972
PNG
(CHEMBL1927562)
Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC
Show InChI InChI=1S/C21H35N/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(22-2)17-15-20/h10-13,20-22H,3-9,14-17H2,1-2H3/t20-,21+
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4.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343825
PNG
(4-(7-Butoxyheptyl)-N-(1-carbamimidoylcyclopropyl)b...)
Show SMILES CCCCOCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C22H35N3O2/c1-2-3-16-27-17-8-6-4-5-7-9-18-10-12-19(13-11-18)20(26)25-22(14-15-22)21(23)24/h10-13H,2-9,14-17H2,1H3,(H3,23,24)(H,25,26)
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4.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343813
PNG
(1-Carbamimidoyl-N-octadecylcyclopropanecarboxamide...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(N)=N
Show InChI InChI=1S/C23H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(27)23(18-19-23)21(24)25/h2-20H2,1H3,(H3,24,25)(H,26,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50343812
PNG
(1-Carbamimidoyl-N-hexadecylcyclopropanecarboxamide...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C1(CC1)C(N)=N
Show InChI InChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(25)21(16-17-21)19(22)23/h2-18H2,1H3,(H3,22,23)(H,24,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50438142
PNG
(CHEMBL2409847)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H25Cl2N3O2S/c24-16-3-6-20(21(25)11-16)22-14-31-23(27-22)26-17-4-1-15(2-5-17)7-9-28-10-8-19(30)12-18(28)13-29/h1-6,11,14,18-19,29-30H,7-10,12-13H2,(H,26,27)/t18-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Mus musculus)
BDBM50438143
PNG
(CHEMBL2409891)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse SphK2


Citation and Details
More data for this
Ligand-Target Pair