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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 = 'BDBM62393'   
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))
BDBM62393
PNG
(5-(2-ethoxy-5-methoxy-phenyl)-N-(2-ethyl-6-methyl-...)
Show SMILES CCOc1ccc(OC)cc1-c1ccc(o1)C(=O)Nc1c(C)cccc1CC
Show InChI InChI=1S/C23H25NO4/c1-5-16-9-7-8-15(3)22(16)24-23(25)21-13-12-20(28-21)18-14-17(26-4)10-11-19(18)27-6-2/h7-14H,5-6H2,1-4H3,(H,24,25)
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n/an/a 414n/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