new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50136551'   
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))
BDBM50136551
PNG
(CHEMBL3753609)
Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1 |r|
Show InChI InChI=1/C22H26N6O3/c1-12(2)24-19-10-15(9-13(3)25-19)22-27-21(28-31-22)17-6-7-18(14(4)26-17)30-16-5-8-20(29)23-11-16/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,23,29)(H,24,25)/t16-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 42n/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