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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50136552'   
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 3


(Homo sapiens (Human))
BDBM50136552
PNG
(CHEMBL3753300)
Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1 |r|
Show InChI InChI=1/C24H29N5O3/c1-13(2)8-19-11-17(10-15(4)25-19)24-28-23(29-32-24)20-9-14(3)22(16(5)26-20)31-12-18-6-7-21(30)27-18/h9-11,13,18H,6-8,12H2,1-5H3,(H,27,30)/t18-/s2
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-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