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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 = 'BDBM36833'   
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))
BDBM36833
PNG
(2-(4-propoxyphenyl)-5-(4-pyridyl)-1,3,4-oxadiazole...)
Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3
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PC sid
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PCBioAssay
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))
BDBM36833
PNG
(2-(4-propoxyphenyl)-5-(4-pyridyl)-1,3,4-oxadiazole...)
Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3
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n/an/an/an/a 6.65E+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))
BDBM36833
PNG
(2-(4-propoxyphenyl)-5-(4-pyridyl)-1,3,4-oxadiazole...)
Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.50E+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