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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' and Ligand = 'BDBM174110'   
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))
BDBM174110
PNG
((S)-2-(3-(4-octylphenyl)-1,2,4- oxadiazol-5-yl)aze...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r|
Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/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 recombinant human SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence ...


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
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM174110
PNG
((S)-2-(3-(4-octylphenyl)-1,2,4- oxadiazol-5-yl)aze...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r|
Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1
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PC sid
UniChem
US Patent
5.50E+4n/an/an/an/an/an/an/an/a



University of Virginia Patent Foundation

US Patent


Assay Description
SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...


US Patent US9688668 (2017)


BindingDB Entry DOI: 10.7270/Q29K48C1
More data for this
Ligand-Target Pair