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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 = 'BDBM50136557'   
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))
BDBM50136557
PNG
(CHEMBL3754035)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r|
Show InChI InChI=1S/C20H20Cl2FN3O4/c1-10(2)29-17-4-3-11(5-15(17)22)20-25-19(26-30-20)13-6-16(23)18(7-14(13)21)28-9-12(24)8-27/h3-7,10,12,27H,8-9,24H2,1-2H3/t12-/m1/s1
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Similars

Article
PubMed
n/an/an/an/a 4.10n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...


Bioorg Med Chem Lett 26: 466-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.090
BindingDB Entry DOI: 10.7270/Q2GX4DD4
More data for this
Ligand-Target Pair