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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 = 'BDBM50209019'   
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))
BDBM50209019
PNG
(CHEMBL3883998)
Show SMILES CCc1ccccc1-c1cccc2sc(CNc3ccc(CC(O)=O)cc3)cc12
Show InChI InChI=1S/C25H23NO2S/c1-2-18-6-3-4-7-21(18)22-8-5-9-24-23(22)15-20(29-24)16-26-19-12-10-17(11-13-19)14-25(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.77E+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