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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 = 'BDBM37265'   
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))
BDBM37265
PNG
(4-(2-furoylamino)benzoic acid cyclohexyl ester | 4...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OC1CCCCC1)c1ccco1
Show InChI InChI=1S/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)
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n/an/an/an/a 1.22E+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))
BDBM37265
PNG
(4-(2-furoylamino)benzoic acid cyclohexyl ester | 4...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OC1CCCCC1)c1ccco1
Show InChI InChI=1S/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)
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n/an/an/an/a 1.34E+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))
BDBM37265
PNG
(4-(2-furoylamino)benzoic acid cyclohexyl ester | 4...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OC1CCCCC1)c1ccco1
Show InChI InChI=1S/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)
PDB

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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