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PubMed code 27255176

Compile data set for download or QSAR
Found 111 hits of Enzyme Inhibition Constant Data   
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))		BDBM50178352
PNG
(CHEMBL3814457)
Show SMILES Oc1ccc(CNC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(Cl)cc2)cc1O |TLB:10:9:17.11.12:15,12:13:18:17.11.10,THB:10:11:15:18.9.14|
Show InChI InChI=1S/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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 3.20E+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 SPHK1 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178352
PNG
(CHEMBL3814457)
Show SMILES Oc1ccc(CNC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(Cl)cc2)cc1O |TLB:10:9:17.11.12:15,12:13:18:17.11.10,THB:10:11:15:18.9.14|
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13|
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)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		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 |r|
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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 1.40E+4n/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)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		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 |r|
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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 1.60E+4n/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 SPHK1 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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 1.70E+4n/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 SPHK1 (unknown origin)

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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 5.00E+4n/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)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178502
PNG
(CHEMBL3814880)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-18-4-2-3-15(9-18)13-30-17-7-5-14(6-8-17)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 2.17E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178502
PNG
(CHEMBL3814880)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-18-4-2-3-15(9-18)13-30-17-7-5-14(6-8-17)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 4.36E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178533
PNG
(CHEMBL3814464)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-18-6-3-5-16(11-18)14-29-19-7-2-4-15(10-19)13-23-24-22(27)17-8-9-20(25)21(26)12-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178533
PNG
(CHEMBL3814464)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-18-6-3-5-16(11-18)14-29-19-7-2-4-15(10-19)13-23-24-22(27)17-8-9-20(25)21(26)12-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178440
PNG
(CHEMBL3814439)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-6-3-5-15(9-17)13-30-18-7-2-4-14(8-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 8.57E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178440
PNG
(CHEMBL3814439)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-6-3-5-15(9-17)13-30-18-7-2-4-14(8-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 8.70E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178613
PNG
(CHEMBL3813893)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-19-4-2-3-16(11-19)14-29-18-8-5-15(6-9-18)13-23-24-22(27)17-7-10-20(25)21(26)12-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a 1.02E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178360
PNG
(CHEMBL3814127)
Show SMILES Oc1ccc(cc1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)18-4-2-1-3-16(18)13-31-17-8-5-14(6-9-17)12-26-27-21(30)15-7-10-19(28)20(29)11-15/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178356
PNG
(CHEMBL3814728)
Show SMILES Oc1ccc(cc1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)18-7-2-1-5-16(18)13-31-17-6-3-4-14(10-17)12-26-27-21(30)15-8-9-19(28)20(29)11-15/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a 1.38E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178443
PNG
(CHEMBL3814488)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)17-4-2-1-3-14(17)12-32-16-7-5-13(6-8-16)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178443
PNG
(CHEMBL3814488)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)17-4-2-1-3-14(17)12-32-16-7-5-13(6-8-16)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178356
PNG
(CHEMBL3814728)
Show SMILES Oc1ccc(cc1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)18-7-2-1-5-16(18)13-31-17-6-3-4-14(10-17)12-26-27-21(30)15-8-9-19(28)20(29)11-15/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a 1.55E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178445
PNG
(CHEMBL3813951)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-5-1-14(2-6-16)12-32-17-7-3-13(4-8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.56E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178408
PNG
(CHEMBL3813765)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-6-4-13(5-7-16)12-32-17-3-1-2-14(8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.63E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178406
PNG
(CHEMBL3814886)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)17-7-2-1-5-14(17)12-32-16-6-3-4-13(8-16)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.63E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178360
PNG
(CHEMBL3814127)
Show SMILES Oc1ccc(cc1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)18-4-2-1-3-16(18)13-31-17-8-5-14(6-9-17)12-26-27-21(30)15-7-10-19(28)20(29)11-15/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a 1.65E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178497
PNG
(CHEMBL3814709)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-1-3-16(4-2-14)13-30-18-7-5-15(6-8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 1.78E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178501
PNG
(CHEMBL3815127)
Show SMILES COc1ccccc1COc1ccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-20-5-3-2-4-15(20)13-30-17-8-6-14(7-9-17)12-23-24-22(28)16-10-18(25)21(27)19(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 1.84E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178439
PNG
(CHEMBL3814046)
Show SMILES COc1ccccc1COc1cccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-20-8-3-2-6-15(20)13-30-17-7-4-5-14(9-17)12-23-24-22(28)16-10-18(25)21(27)19(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 1.95E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178406
PNG
(CHEMBL3814886)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)17-7-2-1-5-14(17)12-32-16-6-3-4-13(8-16)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 1.96E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178439
PNG
(CHEMBL3814046)
Show SMILES COc1ccccc1COc1cccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C22H20N2O6/c1-29-20-8-3-2-6-15(20)13-30-17-7-4-5-14(9-17)12-23-24-22(28)16-10-18(25)21(27)19(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 2.05E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178500
PNG
(CHEMBL3815133)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C25H20N2O5/c28-22-12-20(13-23(29)24(22)30)25(31)27-26-14-16-6-9-21(10-7-16)32-15-17-5-8-18-3-1-2-4-19(18)11-17/h1-14,28-30H,15H2,(H,27,31)/b26-14+
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n/an/a 2.06E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178442
PNG
(CHEMBL3814218)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O5/c24-18-10-16(11-19(25)20(18)26)21(27)23-22-12-14-6-8-17(9-7-14)28-13-15-4-2-1-3-5-15/h1-12,24-26H,13H2,(H,23,27)/b22-12+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178408
PNG
(CHEMBL3813765)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-6-4-13(5-7-16)12-32-17-3-1-2-14(8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 2.22E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178447
PNG
(CHEMBL3814285)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-2-1-3-16(8-15)13-30-18-6-4-14(5-7-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 2.26E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178444
PNG
(CHEMBL3813988)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-3-1-2-14(8-16)12-32-17-6-4-13(5-7-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 2.38E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178613
PNG
(CHEMBL3813893)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-19-4-2-3-16(11-19)14-29-18-8-5-15(6-9-18)13-23-24-22(27)17-7-10-20(25)21(26)12-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a 2.53E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		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 |r|
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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n/an/a 2.63E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178363
PNG
(CHEMBL3735192)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H18N2O5/c24-18-10-16(11-19(25)20(18)26)21(27)23-22-12-15-7-4-8-17(9-15)28-13-14-5-2-1-3-6-14/h1-12,24-26H,13H2,(H,23,27)/b22-12+
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n/an/a 2.63E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178501
PNG
(CHEMBL3815127)
Show SMILES COc1ccccc1COc1ccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-20-5-3-2-4-15(20)13-30-17-8-6-14(7-9-17)12-23-24-22(28)16-10-18(25)21(27)19(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 2.66E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178497
PNG
(CHEMBL3814709)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-1-3-16(4-2-14)13-30-18-7-5-15(6-8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 2.77E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178442
PNG
(CHEMBL3814218)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O5/c24-18-10-16(11-19(25)20(18)26)21(27)23-22-12-14-6-8-17(9-7-14)28-13-15-4-2-1-3-5-15/h1-12,24-26H,13H2,(H,23,27)/b22-12+
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n/an/a 2.85E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178500
PNG
(CHEMBL3815133)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C25H20N2O5/c28-22-12-20(13-23(29)24(22)30)25(31)27-26-14-16-6-9-21(10-7-16)32-15-17-5-8-18-3-1-2-4-19(18)11-17/h1-14,28-30H,15H2,(H,27,31)/b26-14+
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n/an/a 3.02E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178438
PNG
(CHEMBL3814839)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc3ccccc23)c1
Show InChI InChI=1S/C25H20N2O5/c28-22-12-19(13-23(29)24(22)30)25(31)27-26-14-16-5-3-9-20(11-16)32-15-18-8-4-7-17-6-1-2-10-21(17)18/h1-14,28-30H,15H2,(H,27,31)/b26-14+
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n/an/a 3.13E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178498
PNG
(CHEMBL3814984)
Show SMILES Cc1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O5/c1-14-2-4-16(5-3-14)13-29-18-8-6-15(7-9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 3.27E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178437
PNG
(CHEMBL3814810)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-4-6-15(7-5-14)13-30-18-3-1-2-16(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 3.51E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178434
PNG
(CHEMBL3814622)
Show SMILES CC(C)(C)c1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C25H26N2O5/c1-25(2,3)19-9-7-16(8-10-19)15-32-20-6-4-5-17(11-20)14-26-27-24(31)18-12-21(28)23(30)22(29)13-18/h4-14,28-30H,15H2,1-3H3,(H,27,31)/b26-14+
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n/an/a 3.52E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178412
PNG
(CHEMBL3815035)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2Cl)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-17-7-2-1-5-14(17)12-29-16-6-3-4-13(8-16)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a 3.68E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178445
PNG
(CHEMBL3813951)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-5-1-14(2-6-16)12-32-17-7-3-13(4-8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 3.74E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178363
PNG
(CHEMBL3735192)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H18N2O5/c24-18-10-16(11-19(25)20(18)26)21(27)23-22-12-15-7-4-8-17(9-15)28-13-14-5-2-1-3-6-14/h1-12,24-26H,13H2,(H,23,27)/b22-12+
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n/an/a 4.02E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178499
PNG
(CHEMBL3813759)
Show SMILES CC(C)(C)c1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H26N2O5/c1-25(2,3)19-8-4-17(5-9-19)15-32-20-10-6-16(7-11-20)14-26-27-24(31)18-12-21(28)23(30)22(29)13-18/h4-14,28-30H,15H2,1-3H3,(H,27,31)/b26-14+
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n/an/a 4.06E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178438
PNG
(CHEMBL3814839)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc3ccccc23)c1
Show InChI InChI=1S/C25H20N2O5/c28-22-12-19(13-23(29)24(22)30)25(31)27-26-14-16-5-3-9-20(11-16)32-15-18-8-4-7-17-6-1-2-10-21(17)18/h1-14,28-30H,15H2,(H,27,31)/b26-14+
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n/an/a 4.06E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178499
PNG
(CHEMBL3813759)
Show SMILES CC(C)(C)c1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H26N2O5/c1-25(2,3)19-8-4-17(5-9-19)15-32-20-10-6-16(7-11-20)14-26-27-24(31)18-12-21(28)23(30)22(29)13-18/h4-14,28-30H,15H2,1-3H3,(H,27,31)/b26-14+
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n/an/a 4.33E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178498
PNG
(CHEMBL3814984)
Show SMILES Cc1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O5/c1-14-2-4-16(5-3-14)13-29-18-8-6-15(7-9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 4.45E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178446
PNG
(CHEMBL3814779)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-3-1-2-4-16(15)13-30-18-7-5-14(6-8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 4.45E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178435
PNG
(CHEMBL3814989)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-5-1-2-6-16(15)13-30-18-7-3-4-14(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 4.54E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178447
PNG
(CHEMBL3814285)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-2-1-3-16(8-15)13-30-18-6-4-14(5-7-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 4.58E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178405
PNG
(CHEMBL3814930)
Show SMILES Cc1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C22H20N2O5/c1-14-5-7-15(8-6-14)13-29-18-4-2-3-16(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 4.58E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		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 |r|
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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n/an/a 5.06E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178365
PNG
(CHEMBL3814845)
Show SMILES Cc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-14-4-2-6-16(8-14)13-29-18-7-3-5-15(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 5.21E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178444
PNG
(CHEMBL3813988)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-3-1-2-14(8-16)12-32-17-6-4-13(5-7-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a 5.47E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178412
PNG
(CHEMBL3815035)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2Cl)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-17-7-2-1-5-14(17)12-29-16-6-3-4-13(8-16)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a 5.88E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178433
PNG
(CHEMBL3814091)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-16-6-4-13(5-7-16)12-29-17-3-1-2-14(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a 6.12E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178434
PNG
(CHEMBL3814622)
Show SMILES CC(C)(C)c1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C25H26N2O5/c1-25(2,3)19-9-7-16(8-10-19)15-32-20-6-4-5-17(11-20)14-26-27-24(31)18-12-21(28)23(30)22(29)13-18/h4-14,28-30H,15H2,1-3H3,(H,27,31)/b26-14+
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n/an/a 6.22E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178364
PNG
(CHEMBL3814691)
Show SMILES Cc1ccccc1COc1cccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-14-5-2-3-7-16(14)13-29-18-8-4-6-15(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 6.32E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178405
PNG
(CHEMBL3814930)
Show SMILES Cc1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C22H20N2O5/c1-14-5-7-15(8-6-14)13-29-18-4-2-3-16(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 6.54E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178413
PNG
(CHEMBL3814059)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-16-5-1-4-14(7-16)12-29-17-6-2-3-13(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a 6.74E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178435
PNG
(CHEMBL3814989)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-5-1-2-6-16(15)13-30-18-7-3-4-14(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 6.86E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178437
PNG
(CHEMBL3814810)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-4-6-15(7-5-14)13-30-18-3-1-2-16(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 6.94E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178365
PNG
(CHEMBL3814845)
Show SMILES Cc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-14-4-2-6-16(8-14)13-29-18-7-3-5-15(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 7.87E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178364
PNG
(CHEMBL3814691)
Show SMILES Cc1ccccc1COc1cccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-14-5-2-3-7-16(14)13-29-18-8-4-6-15(9-18)12-23-24-22(28)17-10-19(25)21(27)20(26)11-17/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a 8.12E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178436
PNG
(CHEMBL3815047)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-3-1-5-16(7-14)13-30-18-6-2-4-15(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a 8.53E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178409
PNG
(CHEMBL3814912)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2F)c1
Show InChI InChI=1S/C21H17FN2O5/c22-17-7-2-1-5-14(17)12-29-16-6-3-4-13(8-16)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a 9.89E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178503
PNG
(CHEMBL3814524)
Show SMILES COc1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-6-4-15(5-7-17)13-30-18-8-2-14(3-9-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178504
PNG
(CHEMBL3814344)
Show SMILES O=C(N\N=C\c1cccc(OCc2ccccc2)c1)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C22H18N4O2/c27-22(18-9-10-20-21(12-18)24-15-23-20)26-25-13-17-7-4-8-19(11-17)28-14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,23,24)(H,26,27)/b25-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178609
PNG
(CHEMBL3814952)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3ccc(O)cc3)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-20-6-3-5-17(13-20)15-28-21-7-2-4-16(12-21)14-23-24-22(26)18-8-10-19(25)11-9-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178353
PNG
(CHEMBL3813749)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cccc(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-21-7-2-4-17(12-21)15-28-20-10-8-16(9-11-20)14-23-24-22(26)18-5-3-6-19(25)13-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178357
PNG
(CHEMBL3814603)
Show SMILES Oc1cccc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-10-2-1-6-17(20)14-30-19-9-3-5-15(11-19)13-26-27-21(29)16-7-4-8-18(28)12-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178610
PNG
(CHEMBL3814178)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cc(O)cc(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-21-4-2-3-16(9-21)14-29-20-7-5-15(6-8-20)13-23-24-22(27)17-10-18(25)12-19(26)11-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178358
PNG
(CHEMBL3813816)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-7-2-1-5-17(20)14-30-19-6-3-4-15(12-19)13-26-27-21(29)16-8-10-18(28)11-9-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178609
PNG
(CHEMBL3814952)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3ccc(O)cc3)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-20-6-3-5-17(13-20)15-28-21-7-2-4-16(12-21)14-23-24-22(26)18-8-10-19(25)11-9-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178446
PNG
(CHEMBL3814779)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C22H17N3O5/c23-11-15-3-1-2-4-16(15)13-30-18-7-5-14(6-8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178441
PNG
(CHEMBL3814312)
Show SMILES COc1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-7-5-14(6-8-17)13-30-18-4-2-3-15(9-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178413
PNG
(CHEMBL3814059)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-16-5-1-4-14(7-16)12-29-17-6-2-3-13(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178504
PNG
(CHEMBL3814344)
Show SMILES O=C(N\N=C\c1cccc(OCc2ccccc2)c1)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C22H18N4O2/c27-22(18-9-10-20-21(12-18)24-15-23-20)26-25-13-17-7-4-8-19(11-17)28-14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,23,24)(H,26,27)/b25-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178503
PNG
(CHEMBL3814524)
Show SMILES COc1ccc(COc2ccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-6-4-15(5-7-17)13-30-18-8-2-14(3-9-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178361
PNG
(CHEMBL3814697)
Show SMILES Oc1cccc(c1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-26-27-21(29)16-5-3-6-18(28)12-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178410
PNG
(CHEMBL3813986)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H17FN2O5/c22-16-5-1-4-14(7-16)12-29-17-6-2-3-13(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178505
PNG
(CHEMBL3813737)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)cc(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-20-6-3-5-16(9-20)14-29-21-7-2-4-15(8-21)13-23-24-22(27)17-10-18(25)12-19(26)11-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178361
PNG
(CHEMBL3814697)
Show SMILES Oc1cccc(c1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-26-27-21(29)16-5-3-6-18(28)12-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178505
PNG
(CHEMBL3813737)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cc(O)cc(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-20-6-3-5-16(9-20)14-29-21-7-2-4-15(8-21)13-23-24-22(27)17-10-18(25)12-19(26)11-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178359
PNG
(CHEMBL3814087)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-4-2-1-3-15(20)13-31-19-7-5-14(6-8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178362
PNG
(CHEMBL3815019)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-4-2-1-3-17(20)14-30-19-11-5-15(6-12-19)13-26-27-21(29)16-7-9-18(28)10-8-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178441
PNG
(CHEMBL3814312)
Show SMILES COc1ccc(COc2cccc(\C=N\NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1
Show InChI InChI=1S/C22H20N2O6/c1-29-17-7-5-14(6-8-17)13-30-18-4-2-3-15(9-18)12-23-24-22(28)16-10-19(25)21(27)20(26)11-16/h2-12,25-27H,13H2,1H3,(H,24,28)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178610
PNG
(CHEMBL3814178)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cc(O)cc(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O5/c1-28-21-4-2-3-16(9-21)14-29-20-7-5-15(6-8-20)13-23-24-22(27)17-10-18(25)12-19(26)11-17/h2-13,25-26H,14H2,1H3,(H,24,27)/b23-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178433
PNG
(CHEMBL3814091)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H17ClN2O5/c22-16-6-4-13(5-7-16)12-29-17-3-1-2-14(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178407
PNG
(CHEMBL3813857)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-5-1-4-14(7-16)12-32-17-6-2-3-13(8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178358
PNG
(CHEMBL3813816)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-7-2-1-5-17(20)14-30-19-6-3-4-15(12-19)13-26-27-21(29)16-8-10-18(28)11-9-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178436
PNG
(CHEMBL3815047)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C#N)c1
Show InChI InChI=1S/C22H17N3O5/c23-11-14-3-1-5-16(7-14)13-30-18-6-2-4-15(8-18)12-24-25-22(29)17-9-19(26)21(28)20(27)10-17/h1-10,12,26-28H,13H2,(H,25,29)/b24-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178409
PNG
(CHEMBL3814912)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccccc2F)c1
Show InChI InChI=1S/C21H17FN2O5/c22-17-7-2-1-5-14(17)12-29-16-6-3-4-13(8-16)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178548
PNG
(CHEMBL3813800)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cccc(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-20-9-3-6-17(12-20)15-28-21-10-2-5-16(11-21)14-23-24-22(26)18-7-4-8-19(25)13-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178354
PNG
(CHEMBL3814396)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3ccc(O)cc3)cc2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-21-4-2-3-17(13-21)15-28-20-11-5-16(6-12-20)14-23-24-22(26)18-7-9-19(25)10-8-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178407
PNG
(CHEMBL3813857)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)16-5-1-4-14(7-16)12-32-17-6-2-3-13(8-17)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178355
PNG
(CHEMBL3814450)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-7-2-1-5-15(20)13-31-19-6-3-4-14(8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178353
PNG
(CHEMBL3813749)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3cccc(O)c3)cc2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-21-7-2-4-17(12-21)15-28-20-10-8-16(9-11-20)14-23-24-22(26)18-5-3-6-19(25)13-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178410
PNG
(CHEMBL3813986)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H17FN2O5/c22-16-5-1-4-14(7-16)12-29-17-6-2-3-13(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178411
PNG
(CHEMBL3814271)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17FN2O5/c22-16-6-4-13(5-7-16)12-29-17-3-1-2-14(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178362
PNG
(CHEMBL3815019)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-4-2-1-3-17(20)14-30-19-11-5-15(6-12-19)13-26-27-21(29)16-7-9-18(28)10-8-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178359
PNG
(CHEMBL3814087)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-4-2-1-3-15(20)13-31-19-7-5-14(6-8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178355
PNG
(CHEMBL3814450)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-7-2-1-5-15(20)13-31-19-6-3-4-14(8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178411
PNG
(CHEMBL3814271)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17FN2O5/c22-16-6-4-13(5-7-16)12-29-17-3-1-2-14(8-17)11-23-24-21(28)15-9-18(25)20(27)19(26)10-15/h1-11,25-27H,12H2,(H,24,28)/b23-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))		BDBM50178548
PNG
(CHEMBL3813800)
Show SMILES COc1cccc(COc2cccc(\C=N\NC(=O)c3cccc(O)c3)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-20-9-3-6-17(12-20)15-28-21-10-2-5-16(11-21)14-23-24-22(26)18-7-4-8-19(25)13-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178354
PNG
(CHEMBL3814396)
Show SMILES COc1cccc(COc2ccc(\C=N\NC(=O)c3ccc(O)cc3)cc2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-21-4-2-3-17(13-21)15-28-20-11-5-16(6-12-20)14-23-24-22(26)18-7-9-19(25)10-8-18/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50178357
PNG
(CHEMBL3814603)
Show SMILES Oc1cccc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)20-10-2-1-6-17(20)14-30-19-9-3-5-15(11-19)13-26-27-21(29)16-7-4-8-18(28)12-16/h1-13,28H,14H2,(H,27,29)/b26-13+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...

Bioorg Med Chem 24: 3218-30 (2016)


Article DOI: 10.1016/j.bmc.2016.05.047
BindingDB Entry DOI: 10.7270/Q2377BN8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%