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BDBM75601 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine::6-methyl-2-nitro-3-[2-[2,4,6-tris(chloranyl)phenoxy]ethoxy]pyridine::CYM50174::SR-02000000303::SR-02000000303-1::cid_44620882

SMILES: Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O

InChI Key: InChIKey=CLAHWMCGEBXKHS-UHFFFAOYSA-N

Data: 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 6 hits for monomerid = 75601   
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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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n/an/an/an/a 570n/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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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Article
PubMed
n/an/an/an/a 570n/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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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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))
BDBM75601
PNG
(6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)etho...)
Show SMILES Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
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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/Q2P26WMM
More data for this
Ligand-Target Pair