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SMILES: OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C#N)ccc21

InChI Key: InChIKey=RXTPJDXUECAAGM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50041989   
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))		BDBM50041989
PNG
(CHEMBL3359514)
Show SMILES OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C#N)ccc21
Show InChI InChI=1S/C26H26N2O3/c27-15-21-11-17(5-7-23(21)18-3-1-2-4-18)16-31-22-6-8-24-20(12-22)13-25-19(14-26(29)30)9-10-28(24)25/h5-8,11-13,18-19H,1-4,9-10,14,16H2,(H,29,30)
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Article
PubMed
n/an/an/an/a 0.490n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay

ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair