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SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F

InChI Key: InChIKey=GIXQRADFFICFAC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420141   
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 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50420141
PNG
(CHEMBL2059674)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O3S/c1-2-18-16(6-4-8-22(32)33)5-3-7-19(18)23-29-24(35-30-23)17-9-10-21(20(15-17)25(26,27)28)31-11-13-34-14-12-31/h3,5,7,9-10,15H,2,4,6,8,11-14H2,1H3,(H,32,33)
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay

J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair