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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 = 'BDBM62406'   
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))
BDBM62406
PNG
(5-[2,5-bis(chloranyl)phenyl]-N-(2-chloranyl-6-meth...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H12Cl3NO2/c1-10-3-2-4-14(21)17(10)22-18(23)16-8-7-15(24-16)12-9-11(19)5-6-13(12)20/h2-9H,1H3,(H,22,23)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 169n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM62406
PNG
(5-[2,5-bis(chloranyl)phenyl]-N-(2-chloranyl-6-meth...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H12Cl3NO2/c1-10-3-2-4-14(21)17(10)22-18(23)16-8-7-15(24-16)12-9-11(19)5-6-13(12)20/h2-9H,1H3,(H,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 169n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48P2
More data for this
Ligand-Target Pair