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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 = 'BDBM50027948'   
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))
BDBM50027948
PNG
(CHEMBL3344429)
Show SMILES C[C@H](O)COc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CC(C)(C)C1 |r|
Show InChI InChI=1/C22H28ClFN4O4/c1-13(29)12-31-18-9-16(23)15(8-17(18)24)19-25-21(26-32-19)28-6-4-27(5-7-28)20(30)14-10-22(2,3)11-14/h8-9,13-14,29H,4-7,10-12H2,1-3H3/t13-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair