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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 = 'BDBM37264'   
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))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
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PC sid
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PCBioAssay
n/an/an/an/a 6.51E+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))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
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n/an/an/an/a 6.74E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
PDB

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KEGG

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antibodypedia
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UniChem

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n/an/an/an/a>3.00E+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