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12 similar compounds to monomer 75601

Compile data set for download or QSAR
Wt: 343.1
BDBM47493Purchase		Wt: 274.2
BDBM75593		Wt: 329.1
BDBM75594		Wt: 357.1
BDBM75595		Wt: 338.7
BDBM75597
Wt: 366.3
BDBM75599		Wt: 304.2
BDBM79463Purchase		Wt: 387.6
BDBM50360524		Wt: 387.6
BDBM50360525		Wt: 338.7
BDBM50360526
Wt: 326.7
BDBM50360527		Wt: 326.7
BDBM50360528

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 47493,75593,75594,75595,75597,75599,79463,50360524,50360525,50360526,50360527,50360528   
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))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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n/an/an/an/a>4.98E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VM49PS
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))		BDBM75594
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-2-nitro-pyridine...)
Show SMILES [O-][N+](=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O4/c14-9-3-4-11(10(15)8-9)20-6-7-21-12-2-1-5-16-13(12)17(18)19/h1-5,8H,6-7H2
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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 4


(Homo sapiens (Human))		BDBM75593
PNG
(6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine | CYM...)
Show SMILES Cc1ccc(OCCOc2ccccc2)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H14N2O4/c1-11-7-8-13(14(15-11)16(17)18)20-10-9-19-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
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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 4


(Homo sapiens (Human))		BDBM75594
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-2-nitro-pyridine...)
Show SMILES [O-][N+](=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O4/c14-9-3-4-11(10(15)8-9)20-6-7-21-12-2-1-5-16-13(12)17(18)19/h1-5,8H,6-7H2
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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 4


(Homo sapiens (Human))		BDBM75595
PNG
(3-[3-(2,4-dichlorophenoxy)propoxy]-6-methyl-2-nitr...)
Show SMILES Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C15H14Cl2N2O4/c1-10-3-5-14(15(18-10)19(20)21)23-8-2-7-22-13-6-4-11(16)9-12(13)17/h3-6,9H,2,7-8H2,1H3
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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 4


(Homo sapiens (Human))		BDBM75597
PNG
(3-[2-(2-chloranyl-4-methoxy-phenoxy)ethoxy]-6-meth...)
Show SMILES COc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)c(Cl)c1
Show InChI InChI=1S/C15H15ClN2O5/c1-10-3-5-14(15(17-10)18(19)20)23-8-7-22-13-6-4-11(21-2)9-12(13)16/h3-6,9H,7-8H2,1-2H3
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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 4


(Homo sapiens (Human))		BDBM75599
PNG
(6-methyl-2-nitro-3-[2-(4-phenoxyphenoxy)ethoxy]pyr...)
Show SMILES Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O5/c1-15-7-12-19(20(21-15)22(23)24)26-14-13-25-16-8-10-18(11-9-16)27-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3
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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))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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 2


(Homo sapiens (Human))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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 4


(Homo sapiens (Human))		BDBM79463
PNG
(3-[2-(4-methoxyphenoxy)ethoxy]-6-methyl-2-nitro-py...)
Show SMILES COc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H16N2O5/c1-11-3-8-14(15(16-11)17(18)19)22-10-9-21-13-6-4-12(20-2)5-7-13/h3-8H,9-10H2,1-2H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2FX77XM
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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n/an/an/an/a 162n/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 4


(Homo sapiens (Human))		BDBM50360524
PNG
(CHEMBL1935673)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Br)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12BrClN2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(16)8-11(12)15/h2-5,8H,6-7H2,1H3
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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 4


(Homo sapiens (Human))		BDBM50360525
PNG
(CHEMBL1935674)
Show SMILES Cc1ccc(OCCOc2ccc(Br)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12BrClN2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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 4


(Homo sapiens (Human))		BDBM75597
PNG
(3-[2-(2-chloranyl-4-methoxy-phenoxy)ethoxy]-6-meth...)
Show SMILES COc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)c(Cl)c1
Show InChI InChI=1S/C15H15ClN2O5/c1-10-3-5-14(15(17-10)18(19)20)23-8-7-22-13-6-4-11(21-2)9-12(13)16/h3-6,9H,7-8H2,1-2H3
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n/an/an/an/a 3.90E+3n/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 4


(Homo sapiens (Human))		BDBM50360526
PNG
(CHEMBL1935675)
Show SMILES COc1cc(Cl)ccc1OCCOc1ccc(C)nc1[N+]([O-])=O
Show InChI InChI=1S/C15H15ClN2O5/c1-10-3-5-13(15(17-10)18(19)20)23-8-7-22-12-6-4-11(16)9-14(12)21-2/h3-6,9H,7-8H2,1-2H3
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n/an/an/an/a 5.40E+3n/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 4


(Homo sapiens (Human))		BDBM50360527
PNG
(CHEMBL1935677)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2F)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClFN2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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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 4


(Homo sapiens (Human))		BDBM50360528
PNG
(CHEMBL1935678)
Show SMILES Cc1ccc(OCCOc2ccc(F)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12ClFN2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(16)8-11(12)15/h2-5,8H,6-7H2,1H3
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n/an/an/an/a 2.60E+3n/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 4


(Homo sapiens (Human))		BDBM47493
PNG
(3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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n/an/an/an/a 162n/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