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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' and Ligand = 'BDBM50017016'   
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 2


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



500 University Drive

Curated by ChEMBL


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


J Med Chem 57: 5509-24 (2014)


Article DOI: 10.1021/jm4011687
BindingDB Entry DOI: 10.7270/Q2474CF5
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


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


Article DOI: 10.1016/j.bmcl.2015.03.041
BindingDB Entry DOI: 10.7270/Q28G8NHJ
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Monash University (Parkville Campus)

Curated by ChEMBL


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


J Med Chem 59: 965-84 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01439
BindingDB Entry DOI: 10.7270/Q2WW7KJH
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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


TBA

Assay Description
Inhibition of recombinant SphK2 (unknown origin) using sphingosine as substrate by [gamma32P]-ATP based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112713
BindingDB Entry DOI: 10.7270/Q27W6GWG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting


J Med Chem 60: 3933-3957 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00233
BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Virginia Tech

Curated by ChEMBL


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


J Med Chem 58: 1879-99 (2015)


Article DOI: 10.1021/jm501760d
BindingDB Entry DOI: 10.7270/Q2PK0HV3
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of SphK2 (unknown origin)


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


Article DOI: 10.1021/acsmedchemlett.5b00304
BindingDB Entry DOI: 10.7270/Q22B90ZN
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of SK2 (unknown origin) expressed in cell lysates using Sph as substrate measured in presence of [gamma32P]ATP


J Med Chem 62: 3658-3676 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00162
BindingDB Entry DOI: 10.7270/Q2QV3QZ4
More data for this
Ligand-Target Pair
Sphingosine kinase 2


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



Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.

Curated by ChEMBL


Assay Description
Inhibition of human SphK2 using sphingosine as substrate in presence of [gamma-32P]ATP


Bioorg Med Chem 25: 3046-3052 (2017)


Article DOI: 10.1016/j.bmc.2017.03.059
BindingDB Entry DOI: 10.7270/Q2XD144Z
More data for this
Ligand-Target Pair