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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 = 'BDBM36828'   
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))
BDBM36828
PNG
(2-(2-furoylamino)-1,3-benzothiazole-6-carboxylic a...)
Show SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
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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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36828
PNG
(2-(2-furoylamino)-1,3-benzothiazole-6-carboxylic a...)
Show SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
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n/an/an/an/a 1.87E+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))
BDBM36828
PNG
(2-(2-furoylamino)-1,3-benzothiazole-6-carboxylic a...)
Show SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
PDB

Reactome pathway
KEGG

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antibodypedia
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UniChem

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n/an/an/an/a 1.63E+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