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SMILES: CCCCCCCCc1ccc(CC[C@@](N)(CO)\C=C\P(O)(O)=O)cc1

InChI Key: InChIKey=YWQUROWPKWKDNA-APHAIJBRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004888   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine kinase 1


(Homo sapiens (Human))		BDBM50004888
PNG
((S)-Fingolimod Vinylphosphonate | CHEMBL1773676)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)\C=C\P(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,15-16,22H,2-8,13-14,17,21H2,1H3,(H2,23,24,25)/b16-15+/t20-/m0/s1
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Article
PubMed
 1.00E+4n/an/an/an/an/an/an/an/a



The City University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of SK1 (unknown origin) in presence of ATP

Bioorg Med Chem 21: 2503-10 (2013)


Article DOI: 10.1016/j.bmc.2013.02.042
BindingDB Entry DOI: 10.7270/Q26T0P1G
More data for this
Ligand-Target Pair