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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 = 'BDBM50136548'   
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))
BDBM50136548
PNG
(CHEMBL3753177)
Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cnc(OC[C@H]2COC(=O)N2)cn1 |r|
Show InChI InChI=1/C19H21N7O4/c1-10(2)22-15-5-12(4-11(3)23-15)18-25-17(26-30-18)14-6-21-16(7-20-14)28-8-13-9-29-19(27)24-13/h4-7,10,13H,8-9H2,1-3H3,(H,22,23)(H,24,27)/t13-/s2
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n/an/an/an/a 150n/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