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Compile Data Set for Download or QSAR

Found 196 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' 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 2


(Homo sapiens)
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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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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900n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
BDBM50177004
PNG
(CHEMBL3813833)
Show SMILES Cl.CCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1/C22H27N5O2.ClH/c1-2-3-4-12-28-18-10-9-15-13-17(8-7-16(15)14-18)20-25-21(29-26-20)19-6-5-11-27(19)22(23)24;/h7-10,13-14,19H,2-6,11-12H2,1H3,(H3,23,24);1H/t19-;/s2
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980n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
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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980n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
BDBM50177006
PNG
(CHEMBL3814849)
Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/s2
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1.02E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
BDBM50077146
PNG
(CHEMBL3416840)
Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1nc(no1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20-24-19(25-27-20)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50077143
PNG
(CHEMBL3416833)
Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N
Show InChI InChI=1/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50175286
PNG
(CHEMBL3809791)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nnc(o1)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)21-27-28-23(29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
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1.20E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50139650
PNG
(CHEMBL3546834)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@H]1CCCN1C(N)=N
Show InChI InChI=1/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/s2
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1.30E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of recombinant SK2 (unknown origin) expressed in Sf9 cells assessed as [33P]S1P formation using D-erythro sphingosine as substrate and gam...


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50443388
PNG
(CHEMBL3086782)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50443388
PNG
(CHEMBL3086782)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


Bioorg Med Chem Lett 25: 4956-60 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50443388
PNG
(CHEMBL3086782)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
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



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50175284
PNG
(CHEMBL3808554)
Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1nc(no1)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(28-29-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H
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3.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50177005
PNG
(CHEMBL3813772)
Show SMILES Cl.CCCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1/C23H29N5O2.ClH/c1-2-3-4-5-13-29-19-11-10-16-14-18(9-8-17(16)15-19)21-26-22(30-27-21)20-7-6-12-28(20)23(24)25;/h8-11,14-15,20H,2-7,12-13H2,1H3,(H3,24,25);1H/t20-;/s2
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3.80E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 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 2


(Homo sapiens)
BDBM50017017
PNG
(CHEMBL3287037)
Show SMILES Oc1ccc(CCNC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C25H28ClNO3/c26-20-4-2-19(3-5-20)24-11-17-9-18(12-24)14-25(13-17,15-24)23(30)27-8-7-16-1-6-21(28)22(29)10-16/h1-6,10,17-18,28-29H,7-9,11-15H2,(H,27,30)
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4.20E+3n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant SphK2 using sphingosine and ATP as substrate by ADP-Quest kinase assay


J Med Chem 57: 5509-24 (2014)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of SK2 (unknown origin)


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50178352
PNG
(CHEMBL3814457)
Show SMILES Oc1ccc(CNC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(Cl)cc2)cc1O
Show InChI InChI=1/C24H26ClNO3/c25-19-4-2-18(3-5-19)23-9-16-7-17(10-23)12-24(11-16,14-23)22(29)26-13-15-1-6-20(27)21(28)8-15/h1-6,8,16-17,27-28H,7,9-14H2,(H,26,29)
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4.20E+3n/an/an/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant SPHK2 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...


Bioorg Med Chem 24: 3218-30 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50017016
PNG
(CHEMBL3287036)
Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-
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4.30E+3n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate


J Med Chem 57: 5509-24 (2014)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50077145
PNG
(CHEMBL3416836)
Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1C[C@@H](O)CN1C(N)=N
Show InChI InChI=1/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/s2
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5.20E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
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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6.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50017016
PNG
(CHEMBL3287036)
Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-
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6.40E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


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

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50017016
PNG
(CHEMBL3287036)
Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-
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6.40E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50017016
PNG
(CHEMBL3287036)
Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-
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6.40E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of recombinant SK2 (unknown origin) using sphingosine as substrate and gamma[32P]ATP by Lineweaver-Burk plot analysis


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50017016
PNG
(CHEMBL3287036)
Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-
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6.40E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


Bioorg Med Chem Lett 25: 4956-60 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50139649
PNG
(CHEMBL3764617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+
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6.90E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human SK2 using D-erythro sphingosine as substrate and gamma[33P]ATP by Lineweaver-Burk plot analysis


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393644
PNG
(CHEMBL2158697)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C31H56N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-28-19-21-29(22-20-28)30-23-25-31(26-24-30)32(3,4)27-6-2/h19-22,30-31H,5-18,23-27H2,1-4H3/q+1/t30-,31-
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7.00E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillati...


Bioorg Med Chem Lett 22: 6817-20 (2012)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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7.90E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of SK2 (unknown origin)


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393645
PNG
(CHEMBL2158696)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C29H52N/c1-5-7-8-9-10-11-12-13-14-15-16-26-17-19-27(20-18-26)28-21-23-29(24-22-28)30(3,4)25-6-2/h17-20,28-29H,5-16,21-25H2,1-4H3/q+1/t28-,29-
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8.00E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillati...


Bioorg Med Chem Lett 22: 6817-20 (2012)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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8.10E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin)


Bioorg Med Chem 24: 3218-30 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 using NBD-sphingosine as substrate after 2 hrs by HPLC analysis


Bioorg Med Chem Lett 22: 6817-20 (2012)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50177009
PNG
(CHEMBL3814083)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(CC(=O)NCc4ccncc4)(C3)C1)C2
Show InChI InChI=1/C24H27ClN2O/c25-21-3-1-20(2-4-21)24-12-18-9-19(13-24)11-23(10-18,16-24)14-22(28)27-15-17-5-7-26-8-6-17/h1-8,18-19H,9-16H2,(H,27,28)
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9.80E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 after 2 hrs by HPLC assay


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

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant SphK2 assessed as NBD-S1P formation using NBD-Sph as substrate by HPLC analysis


J Med Chem 57: 5509-24 (2014)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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9.90E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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1.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


Bioorg Med Chem Lett 25: 4956-60 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50077144
PNG
(CHEMBL3416835)
Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N
Show InChI InChI=1/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-17(27)13-14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of SK2 (unknown origin)


J Med Chem 59: 965-84 (2016)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...


J Med Chem 58: 1879-99 (2015)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
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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1.02E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
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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1.03E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50175279
PNG
(CHEMBL3809710)
Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C23H37N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21(27)26-23(16-17-23)22(24)25;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,24,25)(H,26,27);1H
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1.09E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50175278
PNG
(CHEMBL3808979)
Show SMILES Cl.CCCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C25H38N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)22-28-24(30-29-22)25(18-19-25)23(26)27;/h14-17H,2-13,18-19H2,1H3,(H3,26,27);1H
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1.10E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50393646
PNG
(CHEMBL2158695)
Show SMILES CCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C28H50N/c1-5-7-8-9-10-11-12-13-14-15-25-16-18-26(19-17-25)27-20-22-28(23-21-27)29(3,4)24-6-2/h16-19,27-28H,5-15,20-24H2,1-4H3/q+1/t27-,28-
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1.10E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillati...


Bioorg Med Chem Lett 22: 6817-20 (2012)

More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens)
BDBM50175283
PNG
(CHEMBL3809544)
Show SMILES Cl.CCCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
Show InChI InChI=1S/C25H38N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21(19-20)22-28-24(30-29-22)25(17-18-25)23(26)27;/h13,15-16,19H,2-12,14,17-18H2,1H3,(H3,26,27);1H
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1.17E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 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 2


(Homo sapiens)
BDBM50240721
PNG
((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C
Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


J Med Chem 57: 5509-24 (2014)

More data for this
Ligand-Target Pair
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