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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 = 'BDBM50209073'   
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))
BDBM50209073
PNG
(CHEMBL3883555)
Show SMILES OC(=O)CCCCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C24H23NO2S/c26-23(27)10-3-4-13-25-16-21-15-20-8-5-9-22(24(20)28-21)19-12-11-17-6-1-2-7-18(17)14-19/h1-2,5-9,11-12,14-15,25H,3-4,10,13,16H2,(H,26,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 412n/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