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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 = 'BDBM37284'   
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))
BDBM37284
PNG
(5-bromanyl-N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl...)
Show SMILES Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1
Show InChI InChI=1S/C15H14BrClN2O2/c16-14-6-5-13(21-14)15(20)18-10-3-4-12(11(17)9-10)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,18,20)
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n/an/an/an/a 3.76E+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))
BDBM37284
PNG
(5-bromanyl-N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl...)
Show SMILES Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1
Show InChI InChI=1S/C15H14BrClN2O2/c16-14-6-5-13(21-14)15(20)18-10-3-4-12(11(17)9-10)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,18,20)
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n/an/an/an/a 4.15E+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))
BDBM37284
PNG
(5-bromanyl-N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl...)
Show SMILES Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1
Show InChI InChI=1S/C15H14BrClN2O2/c16-14-6-5-13(21-14)15(20)18-10-3-4-12(11(17)9-10)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,18,20)
PDB

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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