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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50266428'   
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))		BDBM50266428
PNG
(CHEMBL4082275)
Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r|
Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-16-9-14(8-15(10-16)24(26,27)28)19-12-37-23(32-19)31-17-5-3-13(4-6-17)21-33-20(36-34-21)11-18-2-1-7-35(18)22(29)30;/h3-6,8-10,12,18H,1-2,7,11H2,(H3,29,30)(H,31,32);1H/t18-;/m0./s1
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Similars
Article
PubMed
 800n/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