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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50209045'   
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 5


(Homo sapiens (Human))
BDBM50209045
PNG
(CHEMBL3884134)
Show SMILES CC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(O)=O
Show InChI InChI=1S/C23H21NO2S/c1-15(23(25)26)13-24-14-20-12-19-7-4-8-21(22(19)27-20)18-10-9-16-5-2-3-6-17(16)11-18/h2-12,15,24H,13-14H2,1H3,(H,25,26)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 887n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...


Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair