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Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50266436'   
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))		BDBM50266436
PNG
(CHEMBL4093841)
Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(OC(F)(F)F)cc3)cc2)CCCN1C(N)=N |r|
Show InChI InChI=1S/C24H22F3N7O2S.ClH/c25-24(26,27)35-18-9-5-14(6-10-18)19-13-37-23(31-19)30-16-7-3-15(4-8-16)21-32-20(36-33-21)12-17-2-1-11-34(17)22(28)29;/h3-10,13,17H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t17-;/m0./s1
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Similars
Article
PubMed
 5.00E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SPHK1 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