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13 similar compounds to monomer 31065

Compile data set for download or QSAR
Wt: 415.4
BDBM31079
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Wt: 345.3
BDBM37461
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Wt: 399.4
BDBM37170
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Wt: 368.4
BDBM37173
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Wt: 401.4
BDBM37201
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Wt: 307.3
BDBM40392
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Wt: 317.3
BDBM40090
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Wt: 387.4
BDBM39559
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Wt: 371.4
BDBM42929
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Wt: 235.2
BDBM55316
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Wt: 313.3
BDBM68482
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Wt: 347.4
BDBM66515
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Wt: 249.3
BDBM73352
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 31079,37461,37170,37173,37201,40392,40090,39559,42929,55316,68482,66515,73352   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31079
PNG
(2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C23H29NO6/c1-5-8-29-9-10-30-23(26)22-14(2)21-18(24-22)11-15(12-19(21)25)17-13-16(27-3)6-7-20(17)28-4/h6-7,13,15,24H,5,8-12H2,1-4H3
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n/an/a 4.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/a 1.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/an/an/a 1.12E+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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37173
PNG
(6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7...)
Show SMILES CCC(C)OC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H28N2O3/c1-6-13(2)27-22(26)21-14(3)20-18(23-21)11-16(12-19(20)25)15-7-9-17(10-8-15)24(4)5/h7-10,13,16,23H,6,11-12H2,1-5H3
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n/an/an/an/a 1.80E+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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/an/an/a 1.29E+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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37173
PNG
(6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7...)
Show SMILES CCC(C)OC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H28N2O3/c1-6-13(2)27-22(26)21-14(3)20-18(23-21)11-16(12-19(20)25)15-7-9-17(10-8-15)24(4)5/h7-10,13,16,23H,6,11-12H2,1-5H3
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n/an/an/an/a>3.00E+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 (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/an/an/a 3.55E+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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/an/an/a 1.07E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37173
PNG
(6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7...)
Show SMILES CCC(C)OC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H28N2O3/c1-6-13(2)27-22(26)21-14(3)20-18(23-21)11-16(12-19(20)25)15-7-9-17(10-8-15)24(4)5/h7-10,13,16,23H,6,11-12H2,1-5H3
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n/an/an/an/a 1.87E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/an/an/a 1.09E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37461
PNG
(2-propan-2-yloxyethyl 6-(furan-2-yl)-3-methyl-4-ox...)
Show SMILES CC(C)OCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO5/c1-11(2)23-7-8-25-19(22)18-12(3)17-14(20-18)9-13(10-15(17)21)16-5-4-6-24-16/h4-6,11,13,20H,7-10H2,1-3H3
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n/an/a 1.41E+4n/an/an/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/Q2XD102D
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/a 1.81E+4n/an/an/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/Q2319T8T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31079
PNG
(2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C23H29NO6/c1-5-8-29-9-10-30-23(26)22-14(2)21-18(24-22)11-15(12-19(21)25)17-13-16(27-3)6-7-20(17)28-4/h6-7,13,15,24H,5,8-12H2,1-4H3
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n/an/a>3.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39559
PNG
(2-methoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C21H25NO6/c1-12-19-16(22-20(12)21(24)28-8-7-25-2)9-13(10-17(19)23)15-11-14(26-3)5-6-18(15)27-4/h5-6,11,13,22H,7-10H2,1-4H3
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n/an/an/an/a 7.67E+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/Q2028PXQ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/a 8.65E+3n/an/an/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/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/a 1.15E+4n/an/an/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/Q2PR7TCX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40090
PNG
(2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxidanyli...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM40392
PNG
(2-propan-2-yloxyethyl 3,6,6-trimethyl-4-oxidanylid...)
Show SMILES CC(C)OCCOC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C
Show InChI InChI=1S/C17H25NO4/c1-10(2)21-6-7-22-16(20)15-11(3)14-12(18-15)8-17(4,5)9-13(14)19/h10,18H,6-9H2,1-5H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BC3WZZ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM40090
PNG
(2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxidanyli...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V69H02
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/a 9.00E+3n/an/an/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/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39559
PNG
(2-methoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C21H25NO6/c1-12-19-16(22-20(12)21(24)28-8-7-25-2)9-13(10-17(19)23)15-11-14(26-3)5-6-18(15)27-4/h5-6,11,13,22H,7-10H2,1-4H3
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n/an/an/an/a>3.67E+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/Q2RJ4GVG
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42929
PNG
(6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tet...)
Show SMILES COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
Show InChI InChI=1S/C21H25NO5/c1-11(2)27-21(24)20-12(3)19-15(22-20)8-14(9-16(19)23)13-6-7-17(25-4)18(10-13)26-5/h6-7,10-11,14,22H,8-9H2,1-5H3
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n/an/an/an/a>7.94E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42929
PNG
(6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tet...)
Show SMILES COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
Show InChI InChI=1S/C21H25NO5/c1-11(2)27-21(24)20-12(3)19-15(22-20)8-14(9-16(19)23)13-6-7-17(25-4)18(10-13)26-5/h6-7,10-11,14,22H,8-9H2,1-5H3
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n/an/an/an/a>7.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42929
PNG
(6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tet...)
Show SMILES COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
Show InChI InChI=1S/C21H25NO5/c1-11(2)27-21(24)20-12(3)19-15(22-20)8-14(9-16(19)23)13-6-7-17(25-4)18(10-13)26-5/h6-7,10-11,14,22H,8-9H2,1-5H3
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n/an/an/an/a>7.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM40090
PNG
(2-methoxyethyl 6-(furan-2-yl)-3-methyl-4-oxidanyli...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C17H19NO5/c1-10-15-12(18-16(10)17(20)23-7-6-21-2)8-11(9-13(15)19)14-4-3-5-22-14/h3-5,11,18H,6-9H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55316
PNG
(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxyl...)
Show SMILES CC(C)OC(=O)c1[nH]c2CCCC(=O)c2c1C
Show InChI InChI=1S/C13H17NO3/c1-7(2)17-13(16)12-8(3)11-9(14-12)5-4-6-10(11)15/h7,14H,4-6H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/an/an/a 2.78E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM37201
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H27NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h10-11,13,23H,6-9H2,1-5H3
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n/an/a 6.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66515
PNG
(2-ethoxyethyl 3-methyl-4-oxidanylidene-6-thiophen-...)
Show SMILES CCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1
Show InChI InChI=1S/C18H21NO4S/c1-3-22-6-7-23-18(21)17-11(2)16-13(19-17)9-12(10-14(16)20)15-5-4-8-24-15/h4-5,8,12,19H,3,6-7,9-10H2,1-2H3
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68482
PNG
(2-phenoxyethyl 3-methyl-4-oxidanylidene-1,5,6,7-te...)
Show SMILES Cc1c([nH]c2CCCC(=O)c12)C(=O)OCCOc1ccccc1
Show InChI InChI=1S/C18H19NO4/c1-12-16-14(8-5-9-15(16)20)19-17(12)18(21)23-11-10-22-13-6-3-2-4-7-13/h2-4,6-7,19H,5,8-11H2,1H3
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n/an/an/an/a 1.09E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM73352
PNG
(4-keto-3-propyl-1,5,6,7-tetrahydroindole-2-carboxy...)
Show SMILES CCCc1c([nH]c2CCCC(=O)c12)C(=O)OCC
Show InChI InChI=1S/C14H19NO3/c1-3-6-9-12-10(7-5-8-11(12)16)15-13(9)14(17)18-4-2/h15H,3-8H2,1-2H3
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31079
PNG
(2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C23H29NO6/c1-5-8-29-9-10-30-23(26)22-14(2)21-18(24-22)11-15(12-19(21)25)17-13-16(27-3)6-7-20(17)28-4/h6-7,13,15,24H,5,8-12H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair