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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50047567   
Target/Host
(Institution)
LigandTarget/Host
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


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
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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980n/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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
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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1.60E+3n/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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
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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2.50E+3n/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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
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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3.00E+3n/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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
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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4.60E+3n/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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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1.41E+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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(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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4.30E+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)


Article DOI: 10.1021/acsmedchemlett.6b00002
BindingDB Entry DOI: 10.7270/Q2CV4KP5
More data for this
Ligand-Target Pair