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11 similar compounds to monomer 51901

Wt: 451.6
BDBM51900
Wt: 467.6
BDBM51903
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Wt: 467.6
BDBM51904
Wt: 451.6
BDBM51905
Purchase
Wt: 467.6
BDBM51909
Purchase
Wt: 437.5
BDBM51917
Wt: 449.6
BDBM55768
Wt: 435.5
BDBM61088
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Wt: 449.6
BDBM68115
Wt: 465.6
BDBM68132
Purchase
Wt: 472.0
BDBM67655
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 84 hits for monomerid = 51900,51903,51904,51905,51909,51917,55768,61088,68115,68132,67655   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 6.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51900
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-m-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-19-32-28(31)21-30-26-18-12-11-17-25(26)29(3)27(30)22-33-24-16-14-15-23(2)20-24/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51905
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-p-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-20-32-28(31)21-30-26-15-12-11-14-25(26)29(3)27(30)22-33-24-18-16-23(2)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 4.57E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51909
PNG
(2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimi...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 2.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51900
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-m-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-19-32-28(31)21-30-26-18-12-11-17-25(26)29(3)27(30)22-33-24-16-14-15-23(2)20-24/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.05E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51905
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-p-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-20-32-28(31)21-30-26-15-12-11-14-25(26)29(3)27(30)22-33-24-18-16-23(2)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 1.80E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51909
PNG
(2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimi...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 4.33E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 2.60E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51905
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-p-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-20-32-28(31)21-30-26-15-12-11-14-25(26)29(3)27(30)22-33-24-18-16-23(2)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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n/an/an/an/a 3.20E+4n/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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61088
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1
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n/an/an/an/a 3.20E+4n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM67655
PNG
(2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimid...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68115
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3/q+1
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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: Dr. Randal Kaufman, Univer...


Citation and Details
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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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: Dr. Randal Kaufman, Univer...


Citation and Details
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68132
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)
Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1
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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: Dr. Randal Kaufman, Univer...


Citation and Details
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/a 1.09E+4n/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, CA...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68132
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)
Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51900
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-m-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-19-32-28(31)21-30-26-18-12-11-17-25(26)29(3)27(30)22-33-24-16-14-15-23(2)20-24/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/a 1.25E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/a 1.56E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51909
PNG
(2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimi...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM67655
PNG
(2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimid...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
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n/an/a 6.53E+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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM68132
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)
Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1
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n/an/a 8.69E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM68115
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3/q+1
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/a 1.10E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/a 1.51E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM67655
PNG
(2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimid...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
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n/an/a 6.71E+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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM68132
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)
Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1
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n/an/a 6.31E+4n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68115
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3/q+1
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/a 1.91E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/a 1.84E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM67655
PNG
(2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimid...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
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n/an/a 1.01E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM68115
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3/q+1
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n/an/an/an/a 8.85E+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 (2011)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM61088
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1
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n/an/an/an/a 1.40E+4n/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 (2011)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM51909
PNG
(2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimi...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 1.43E+4n/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 (2011)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 1.58E+4n/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 (2011)

More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM68115
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3/q+1
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n/an/a 9.22E+3n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM55768
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H37N2O3/c1-19(2)22-15-14-20(3)16-26(22)33-28(31)17-30-24-12-8-7-11-23(24)29(5)27(30)18-32-25-13-9-6-10-21(25)4/h6-13,19-20,22,26H,14-18H2,1-5H3/q+1
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n/an/a 340n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
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