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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 4' and Ligand = 'BDBM75594'   
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))
BDBM75594
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-2-nitro-pyridine...)
Show SMILES [O-][N+](=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O4/c14-9-3-4-11(10(15)8-9)20-6-7-21-12-2-1-5-16-13(12)17(18)19/h1-5,8H,6-7H2
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.98E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in human U2OS cells containing EDG6 gene co-expressing GAL4-VP16 and beta-arrestin/TEV protease assessed as...


Bioorg Med Chem Lett 22: 537-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.096
BindingDB Entry DOI: 10.7270/Q2WD410R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM75594
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-2-nitro-pyridine...)
Show SMILES [O-][N+](=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O4/c14-9-3-4-11(10(15)8-9)20-6-7-21-12-2-1-5-16-13(12)17(18)19/h1-5,8H,6-7H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair