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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 = 'BDBM50136341'   
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))
BDBM50136341
PNG
(CHEMBL3752990)
Show SMILES CCOc1ncc(cc1Cl)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r|
Show InChI InChI=1/C18H17Cl2FN4O4/c1-2-27-18-13(20)3-9(6-23-18)17-24-16(25-29-17)11-4-14(21)15(5-12(11)19)28-8-10(22)7-26/h3-6,10,26H,2,7-8,22H2,1H3/t10-/s2
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PC sid
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PubMed
n/an/an/an/a 62n/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)


BindingDB Entry DOI: 10.7270/Q2GX4DD4
More data for this
Ligand-Target Pair