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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' and Ligand = 'BDBM50178502'   
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))		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+
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
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