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SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCN(C)CC2)c(c1)C(F)(F)F

InChI Key: InChIKey=ZIRQJCOPXWIJLI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420140   
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))		BDBM50420140
PNG
(CHEMBL2059673)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H29F3N4O2S/c1-3-19-17(7-5-9-23(34)35)6-4-8-20(19)24-30-25(36-31-24)18-10-11-22(21(16-18)26(27,28)29)33-14-12-32(2)13-15-33/h4,6,8,10-11,16H,3,5,7,9,12-15H2,1-2H3,(H,34,35)
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Article
PubMed
n/an/an/an/a>3.16E+3n/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