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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 = 'BDBM36856'   
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))
BDBM36856
PNG
(5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3
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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36856
PNG
(5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3
PDB

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n/an/an/an/a 1.54E+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))
BDBM36856
PNG
(5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.41E+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