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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 = 'BDBM50209026'   
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))
BDBM50209026
PNG
(CHEMBL3883991)
Show SMILES OC(=O)Cc1ccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1
Show InChI InChI=1S/C27H21NO2S/c29-26(30)14-18-8-12-23(13-9-18)28-17-24-16-22-6-3-7-25(27(22)31-24)21-11-10-19-4-1-2-5-20(19)15-21/h1-13,15-16,28H,14,17H2,(H,29,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 4.02E+3n/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