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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 = 'BDBM50165383'   
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))		BDBM50165383
PNG
(CHEMBL3800203)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CNC)cc1 |r|
Show InChI InChI=1S/C24H30N4O5/c1-4-17-10-19(9-15(2)22(17)32-14-20(30)12-26-21(31)13-29)23-27-24(33-28-23)18-7-5-16(6-8-18)11-25-3/h5-10,20,25,29-30H,4,11-14H2,1-3H3,(H,26,31)/t20-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair