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BDBM37242 5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole::5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole::MLS000109137::SMR000105083::cid_867086

SMILES: CCc1ccc(cc1)-c1nc(no1)-c1ccncc1

InChI Key: InChIKey=XLATUMJPSZJWSY-UHFFFAOYSA-N

Data: 2 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 37242   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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n/an/an/an/a 4.42E+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))
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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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
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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n/an/a 3.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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n/an/an/an/a 4.82E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37242
PNG
(5-(4-ethylphenyl)-3-(4-pyridyl)-1,2,4-oxadiazole |...)
Show SMILES CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
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n/an/an/an/a 5.70E+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