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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 = 'BDBM50248418'   
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))		BDBM50248418
PNG
(CHEMBL4081304)
Show SMILES O[C@H](C(=O)NC1(CC1)C#N)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C24H16F3N5O4/c25-24(26,27)16-17(13-4-2-1-3-5-13)31-35-19(16)22-29-20(32-36-22)15-8-6-14(7-9-15)18(33)21(34)30-23(12-28)10-11-23/h1-9,18,33H,10-11H2,(H,30,34)/t18-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a>3.10E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...

J Med Chem 60: 5267-5289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01575
BindingDB Entry DOI: 10.7270/Q2930WM8
More data for this
Ligand-Target Pair