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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50055542'   
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 3


(Homo sapiens (Human))		BDBM50055542
PNG
(CHEMBL3342006)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)COP(O)(O)=O
Show InChI InChI=1S/C20H22F3N4O5P/c21-20(22,23)16-5-7-17(8-6-16)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-33(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)
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Article
PubMed
n/an/an/an/a 616n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair