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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM37272'   
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 1


(Homo sapiens (Human))
BDBM37272
PNG
(3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3
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n/an/an/an/a 1.01E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37272
PNG
(3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3
PDB

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n/an/an/an/a 1.20E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37272
PNG
(3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a>9.51E+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 (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair