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BDBM36952 3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-oxadiazole::3-(4-ethoxy-3-methoxy-phenyl)-5-pyridin-3-yl-1,2,4-oxadiazole::3-(4-ethoxy-3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-oxadiazole::3-(4-ethoxy-3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole::MLS000083724::SMR000047398::cid_666153

SMILES: CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1

InChI Key: InChIKey=IACGLKCDLHWTKF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 36952   
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))
BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
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n/an/an/an/a 770n/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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
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n/an/an/an/a 0.0571n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
UniProtKB/SwissProt

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n/an/an/an/a 0.00532n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
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n/an/an/an/a 1.20E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair