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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 = 'BDBM50186933'   
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))
BDBM50186933
PNG
(3-(4-(5-(5-(1,1-difluoro-2-methylpropyl)pyridin-2-...)
Show SMILES CC(C)C(F)(F)c1ccc(nc1)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21F2N3O3/c1-12(2)21(22,23)15-6-8-17(24-11-15)20-25-19(26-29-20)16-7-4-14(10-13(16)3)5-9-18(27)28/h4,6-8,10-12H,5,9H2,1-3H3,(H,27,28)
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Similars

Article
PubMed
n/an/an/an/a 820n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair