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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-Phosphate Receptor 4' and Ligand = 'BDBM50305381'   
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 4


(Homo sapiens (Human))
BDBM50305381
PNG
(3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 560n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 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