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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 = 'BDBM37283'   
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))
BDBM37283
PNG
(1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-tri...)
Show SMILES Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15|
Show InChI InChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2
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PCBioAssay
n/an/an/an/a 4.74E+3n/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))
BDBM37283
PNG
(1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-tri...)
Show SMILES Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15|
Show InChI InChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2
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n/an/an/an/a 4.62E+3n/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))
BDBM37283
PNG
(1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-tri...)
Show SMILES Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15|
Show InChI InChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2
PDB

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KEGG

UniProtKB/SwissProt

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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