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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 = 'BDBM50305384'   
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))
BDBM50305384
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...)
Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair