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SMILES: CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCc2cc(CCC(O)=O)ccc12

InChI Key: InChIKey=LUBKTCUAJHRXLO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50149582   
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))		BDBM50149582
PNG
(CHEMBL3770821)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCc2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-13(2)29-19-7-5-16(12-17(19)23)21-24-25-22(30-21)26-10-9-15-11-14(3-6-18(15)26)4-8-20(27)28/h3,5-7,11-13H,4,8-10H2,1-2H3,(H,27,28)
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PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay

J Med Chem 59: 1003-20 (2016)


BindingDB Entry DOI: 10.7270/Q2KP842C
More data for this
Ligand-Target Pair