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SMILES: CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1

InChI Key: InChIKey=CNNYMQSDYQDLRY-LLVKDONJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114066   
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))		BDBM50114066
PNG
(CHEMBL3605536)
Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H17ClF3N3O2S/c1-3-25-16-9-12(18(20,21)22)7-8-15(16)23-17(25)11(2)24-28(26,27)14-6-4-5-13(19)10-14/h4-11,24H,3H2,1-2H3/t11-/m1/s1
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PubMed
n/an/an/an/a 27n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...

J Med Chem 58: 7057-75 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89F6J
More data for this
Ligand-Target Pair