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BDBM75602 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine::3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2,6-bis(bromanyl)pyridine::CYM50179::ML178::SR-02000000304::SR-02000000304-1::cid_44620892

SMILES: Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1

InChI Key: InChIKey=KMGUBUXDNOMSRM-UHFFFAOYSA-N

Data: 1 IC50  6 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 7 hits for monomerid = 75602   
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 4


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/a 830n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12324
BindingDB Entry DOI: 10.7270/Q20C4T70
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a 46.3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a>5.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2XG9PMK
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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PubMed
n/an/an/an/a 46n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in human U2OS cells containing EDG6 gene co-expressing GAL4-VP16 and beta-arrestin/TEV protease assessed as...


Bioorg Med Chem Lett 22: 537-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.096
BindingDB Entry DOI: 10.7270/Q2WD410R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a>5.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2J964VT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a>5.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2WM1BVM
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
NCI pathway
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PCBioAssay
n/an/an/an/a>5.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2P26WMM
More data for this
Ligand-Target Pair