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Compile Data Set for Download or QSAR

Found 117 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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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)


Citation and Details
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...


Citation and Details
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
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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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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)


Citation and Details
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
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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


Citation and Details
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...


Citation and Details
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)


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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)


Citation and Details
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)


Citation and Details
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...


Citation and Details
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)


Citation and Details
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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1.25E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human cloned SPHK2 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plot


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


(Homo sapiens)
BDBM50359980
PNG
(CHEMBL1927600)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)OC)cc1
Show InChI InChI=1S/C19H33NO2/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-19(20,16-21)22-2/h10-13,21H,3-9,14-16,20H2,1-2H3/t19-/m1/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2


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


(Homo sapiens)
BDBM50393641
PNG
(CHEMBL2158686)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1
Show InChI InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 using sphingosine as substrate and [32gammaP]ATP after 15 to 20 mins by Cerenkov counting analysis


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


(Homo sapiens)
BDBM50077148
PNG
(CHEMBL3416760)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COC)cc1
Show InChI InChI=1/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/s2
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1.65E+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...


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


(Homo sapiens)
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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2.10E+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...


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


(Homo sapiens)
BDBM50393641
PNG
(CHEMBL2158686)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1
Show InChI InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


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


(Homo sapiens)
BDBM50393643
PNG
(CHEMBL2158698)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C33H60N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-21-23-31(24-22-30)32-25-27-33(28-26-32)34(3,4)29-6-2/h21-24,32-33H,5-20,25-29H2,1-4H3/q+1/t32-,33-
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2.90E+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...


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


(Homo sapiens)
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 SPHK2


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


(Homo sapiens)
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



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


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


(Homo sapiens)
BDBM50393647
PNG
(CHEMBL2158694)
Show SMILES CCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C27H48N/c1-5-7-8-9-10-11-12-13-14-24-15-17-25(18-16-24)26-19-21-27(22-20-26)28(3,4)23-6-2/h15-18,26-27H,5-14,19-23H2,1-4H3/q+1/t26-,27-
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4.30E+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...


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


(Homo sapiens)
BDBM50393648
PNG
(CHEMBL2158693)
Show SMILES CCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC
Show InChI InChI=1S/C23H40N/c1-5-7-8-9-10-20-11-13-21(14-12-20)22-15-17-23(18-16-22)24(3,4)19-6-2/h11-14,22-23H,5-10,15-19H2,1-4H3/q+1/t22-,23-
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4.30E+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...


Citation and Details
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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5.00E+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...


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


(Homo sapiens)
BDBM50443389
PNG
(CHEMBL2376441)
Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1
Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1
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>1.00E+5n/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...


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


(Homo sapiens)
BDBM50438114
PNG
(CHEMBL2409758)
Show SMILES CCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1
Show InChI InChI=1S/C16H25NO2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16(19)15(12-18)17-2/h6-11,15-19H,3-5,12H2,1-2H3/b11-10+/t15-,16+/m1/s1
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>1.00E+5n/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


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


(Homo sapiens)
BDBM50438167
PNG
(CHEMBL2409849)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H25F4N3O2S/c25-21-11-16(24(26,27)28)3-6-20(21)22-14-34-23(30-22)29-17-4-1-15(2-5-17)7-9-31-10-8-19(33)12-18(31)13-32/h1-6,11,14,18-19,32-33H,7-10,12-13H2,(H,29,30)/t18-,19+/m1/s1
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n/an/a 20n/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


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


(Homo sapiens)
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 40n/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


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


(Homo sapiens)
BDBM50438161
PNG
(CHEMBL2409848)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H25F4N3O2S/c25-22-19(2-1-3-20(22)24(26,27)28)21-14-34-23(30-21)29-16-6-4-15(5-7-16)8-10-31-11-9-18(33)12-17(31)13-32/h1-7,14,17-18,32-33H,8-13H2,(H,29,30)/t17-,18+/m1/s1
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n/an/a 40n/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


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


(Homo sapiens)
BDBM50438157
PNG
(CHEMBL2409850)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H25F4N3O2S/c25-21-6-3-16(24(26,27)28)11-20(21)22-14-34-23(30-22)29-17-4-1-15(2-5-17)7-9-31-10-8-19(33)12-18(31)13-32/h1-6,11,14,18-19,32-33H,7-10,12-13H2,(H,29,30)/t18-,19+/m1/s1
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n/an/a 50n/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


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


(Homo sapiens)
BDBM50438166
PNG
(CHEMBL2409867)
Show SMILES OC[C@H]1C[C@@H](O)CN1CCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C22H23Cl2N3O2S/c23-19-6-3-15(9-20(19)24)21-13-30-22(26-21)25-16-4-1-14(2-5-16)7-8-27-11-18(29)10-17(27)12-28/h1-6,9,13,17-18,28-29H,7-8,10-12H2,(H,25,26)/t17-,18-/m1/s1
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n/an/a 90n/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


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


(Homo sapiens)
BDBM50438169
PNG
(CHEMBL2409870)
Show SMILES OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C23H25Cl2N3O2S/c24-20-8-5-16(10-21(20)25)22-14-31-23(27-22)26-17-6-3-15(4-7-17)2-1-9-28-12-19(30)11-18(28)13-29/h3-8,10,14,18-19,29-30H,1-2,9,11-13H2,(H,26,27)/t18-,19+/m1/s1
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n/an/a 90n/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


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


(Homo sapiens)
BDBM50438165
PNG
(CHEMBL2409888)
Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H26ClN3O2S/c24-18-5-3-17(4-6-18)22-15-30-23(26-22)25-19-7-1-16(2-8-19)9-11-27-12-10-21(29)13-20(27)14-28/h1-8,15,20-21,28-29H,9-14H2,(H,25,26)/t20-,21+/m1/s1
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n/an/a 90n/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


Citation and Details
More data for this
Ligand-Target Pair
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