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SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F

InChI Key: InChIKey=BFNHODMAWJNQBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420147   
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))		BDBM50420147
PNG
(CHEMBL2059676)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N2O2S/c1-2-20-17(11-7-13-24(33)34)10-6-12-22(20)25-31-26(35-32-25)19-14-15-21(18-8-4-3-5-9-18)23(16-19)27(28,29)30/h3-6,8-10,12,14-16H,2,7,11,13H2,1H3,(H,33,34)
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Article
PubMed
n/an/an/an/a 5.01n/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