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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 = 'BDBM50251401'   
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))		BDBM50251401
PNG
(CHEMBL4090570)
Show SMILES CCCCCCCCCc1cccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)c1 |r|
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)13-14-20-21(23)19(22)16-24-20/h9,11-12,15,19-21,23H,2-8,10,13-14,16,22H2,1H3/t19-,20+,21+/m1/s1
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PC cid
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Article
PubMed
n/an/a 1.20E+4n/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 N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...

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