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SMILES: CCc1c(CCCC(O)=O)cccc1-c1nc(ns1)-c1ccc(OC(C)C)c(c1)C#N

InChI Key: InChIKey=LOHBZDNRNNCIQZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420126   
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))		BDBM50420126
PNG
(CHEMBL2059518)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nc(ns1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-26-23(27-31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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Similars
Article
PubMed
n/an/an/an/a 1.26n/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