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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361886'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50361886
PNG
(CHEMBL1938932)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCSC3)c(F)c2)C1
Show InChI InChI=1S/C22H20FN3O3S2/c23-17-7-13(9-25-10-15(11-25)22(28)29)1-3-16(17)20-24-18-4-2-14(8-19(18)31-20)21(27)26-5-6-30-12-26/h1-4,7-8,15H,5-6,9-12H2,(H,28,29)
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Similars
Article
PubMed
n/an/an/an/a 2.71E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...

Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair