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61 similar compounds to monomer 50396525

Compile data set for download or QSAR
Wt: 436.5
BDBM53235
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Wt: 450.5
BDBM53294
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Wt: 447.5
BDBM52031
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Wt: 393.5
BDBM58497
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Wt: 424.5
BDBM58510
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Wt: 406.5
BDBM58511
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Wt: 378.4
BDBM58516
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Wt: 464.6
BDBM69909
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Wt: 437.5
BDBM69911
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Wt: 407.5
BDBM69912
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Wt: 465.6
BDBM69920
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Wt: 481.6
BDBM69929
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Wt: 467.5
BDBM69937
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Wt: 451.5
BDBM69940
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Wt: 451.5
BDBM69942
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Displayed 1 to 15 (of 61 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 53235,53294,52031,58497,58510,58511,58516,69909,69911,69912,69920,69929,69937,69940,69942   
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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53235
PNG
((2E)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbony...)
Show SMILES Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C24H24N2O4S/c1-16-2-4-17(5-3-16)14-21-22(27)25-19-15-18(6-7-20(19)31-21)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h2-7,14-15H,8-13H2,1H3,(H,25,27)/b21-14+
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n/an/an/an/a 4.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM69929
PNG
((2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl...)
Show SMILES COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC
Show InChI InChI=1S/C26H31N3O4S/c1-28-20-17-19(25(30)27-11-6-14-29-12-4-5-13-29)8-10-23(20)34-24(26(28)31)16-18-7-9-21(32-2)22(15-18)33-3/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,27,30)/b24-16-
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n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM52031
PNG
((2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpipe...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/b24-17-
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n/an/a 1.39E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2X63KBQ
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53235
PNG
((2E)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbony...)
Show SMILES Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C24H24N2O4S/c1-16-2-4-17(5-3-16)14-21-22(27)25-19-15-18(6-7-20(19)31-21)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h2-7,14-15H,8-13H2,1H3,(H,25,27)/b21-14+
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n/an/an/an/a 8.06E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM52031
PNG
((2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpipe...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/b24-17-
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n/an/a 5.96E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SF2TM0
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53294
PNG
(1-[(2E)-3-keto-2-(4-methylbenzylidene)-4H-1,4-benz...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C25H26N2O4S/c1-3-31-25(30)18-10-12-27(13-11-18)24(29)19-8-9-21-20(15-19)26-23(28)22(32-21)14-17-6-4-16(2)5-7-17/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,26,28)/b22-14+
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n/an/an/an/a 3.08E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM52031
PNG
((2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpipe...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/b24-17-
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n/an/a 4.51E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NS0S90
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM52031
PNG
((2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpipe...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/b24-17-
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n/an/a 5.96E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J101MD
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53235
PNG
((2E)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbony...)
Show SMILES Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C24H24N2O4S/c1-16-2-4-17(5-3-16)14-21-22(27)25-19-15-18(6-7-20(19)31-21)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h2-7,14-15H,8-13H2,1H3,(H,25,27)/b21-14+
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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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58497
PNG
((2E)-2-(4-methylbenzylidene)-6-(4-methylpiperazine...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C22H23N3O2S/c1-15-3-5-16(6-4-15)13-20-21(26)23-18-14-17(7-8-19(18)28-20)22(27)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/b20-13+
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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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58510
PNG
((2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl...)
Show SMILES COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)N2CCCC2)cc1OC
Show InChI InChI=1S/C23H24N2O4S/c1-24-17-14-16(22(26)25-10-4-5-11-25)7-9-20(17)30-21(23(24)27)13-15-6-8-18(28-2)19(12-15)29-3/h6-9,12-14H,4-5,10-11H2,1-3H3/b21-13-
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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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58511
PNG
((2Z)-4-methyl-2-(3-methylbenzylidene)-6-(4-methylp...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)N(C)c2c1
Show InChI InChI=1S/C24H26N2O2S/c1-16-9-11-26(12-10-16)23(27)19-7-8-21-20(15-19)25(3)24(28)22(29-21)14-18-6-4-5-17(2)13-18/h4-8,13-16H,9-12H2,1-3H3/b22-14-
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n/an/an/an/a 2.03E+4n/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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58516
PNG
((2Z)-2-benzal-6-(4-methylpiperidine-1-carbonyl)-4H...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C22H22N2O2S/c1-15-9-11-24(12-10-15)22(26)17-7-8-19-18(14-17)23-21(25)20(27-19)13-16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,23,25)/b20-13-
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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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69909
PNG
((2E)-N-[3-(4-ethyl-1-piperazinyl)propyl]-2-[(3-met...)
Show SMILES CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H32N4O2S/c1-3-29-12-14-30(15-13-29)11-5-10-27-25(31)21-8-9-23-22(18-21)28-26(32)24(33-23)17-20-7-4-6-19(2)16-20/h4,6-9,16-18H,3,5,10-15H2,1-2H3,(H,27,31)(H,28,32)/b24-17+
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n/an/an/an/a 1.61E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69911
PNG
((2E)-2-[(3-methylphenyl)methylidene]-N-(3-morpholi...)
Show SMILES Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C24H27N3O3S/c1-17-4-2-5-18(14-17)15-22-24(29)26-20-16-19(6-7-21(20)31-22)23(28)25-8-3-9-27-10-12-30-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,28)(H,26,29)/b22-15+
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n/an/an/an/a>3.00E+5n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69912
PNG
((2E)-2-[(3-methylphenyl)methylidene]-3-oxidanylide...)
Show SMILES Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C23H25N3O2S/c1-16-5-4-6-17(13-16)14-21-23(28)25-19-15-18(7-8-20(19)29-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/b21-14+
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n/an/an/an/a 6.28E+3n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69920
PNG
((2Z)-N-[2-(1-azepanyl)ethyl]-2-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCN2CCCCCC2)cc1
Show InChI InChI=1S/C26H31N3O3S/c1-28-22-18-20(25(30)27-13-16-29-14-5-3-4-6-15-29)9-12-23(22)33-24(26(28)31)17-19-7-10-21(32-2)11-8-19/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,27,30)/b24-17-
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n/an/an/an/a 4.33E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69929
PNG
((2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl...)
Show SMILES COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC
Show InChI InChI=1S/C26H31N3O4S/c1-28-20-17-19(25(30)27-11-6-14-29-12-4-5-13-29)8-10-23(20)34-24(26(28)31)16-18-7-9-21(32-2)22(15-18)33-3/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,27,30)/b24-16-
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n/an/an/an/a>3.00E+5n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69937
PNG
((2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[(1-et...)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C\c3ccc(OC)c(OC)c3)C(=O)Nc2c1
Show InChI InChI=1S/C25H29N3O4S/c1-4-28-11-5-6-18(28)15-26-24(29)17-8-10-22-19(14-17)27-25(30)23(33-22)13-16-7-9-20(31-2)21(12-16)32-3/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,26,29)(H,27,30)/b23-13+
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n/an/an/an/a 6.60E+3n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69940
PNG
((2E)-N-[2-(1-azepanyl)ethyl]-2-[(3-methoxyphenyl)m...)
Show SMILES COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1
Show InChI InChI=1S/C25H29N3O3S/c1-31-20-8-6-7-18(15-20)16-23-25(30)27-21-17-19(9-10-22(21)32-23)24(29)26-11-14-28-12-4-2-3-5-13-28/h6-10,15-17H,2-5,11-14H2,1H3,(H,26,29)(H,27,30)/b23-16+
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n/an/an/an/a 9.46E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69942
PNG
((2E)-N-[2-(1-azepanyl)ethyl]-2-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)cc1
Show InChI InChI=1S/C25H29N3O3S/c1-31-20-9-6-18(7-10-20)16-23-25(30)27-21-17-19(8-11-22(21)32-23)24(29)26-12-15-28-13-4-2-3-5-14-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,26,29)(H,27,30)/b23-16+
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n/an/an/an/a>3.00E+5n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM52031
PNG
((2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpipe...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/b24-17-
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n/an/an/an/a 1.69E+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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM69909
PNG
((2E)-N-[3-(4-ethyl-1-piperazinyl)propyl]-2-[(3-met...)
Show SMILES CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H32N4O2S/c1-3-29-12-14-30(15-13-29)11-5-10-27-25(31)21-8-9-23-22(18-21)28-26(32)24(33-23)17-20-7-4-6-19(2)16-20/h4,6-9,16-18H,3,5,10-15H2,1-2H3,(H,27,31)(H,28,32)/b24-17+
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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)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM69912
PNG
((2E)-2-[(3-methylphenyl)methylidene]-3-oxidanylide...)
Show SMILES Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C23H25N3O2S/c1-16-5-4-6-17(13-16)14-21-23(28)25-19-15-18(7-8-20(19)29-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/b21-14+
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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)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM69940
PNG
((2E)-N-[2-(1-azepanyl)ethyl]-2-[(3-methoxyphenyl)m...)
Show SMILES COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1
Show InChI InChI=1S/C25H29N3O3S/c1-31-20-8-6-7-18(15-20)16-23-25(30)27-21-17-19(9-10-22(21)32-23)24(29)26-11-14-28-12-4-2-3-5-13-28/h6-10,15-17H,2-5,11-14H2,1H3,(H,26,29)(H,27,30)/b23-16+
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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)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM69942
PNG
((2E)-N-[2-(1-azepanyl)ethyl]-2-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)cc1
Show InChI InChI=1S/C25H29N3O3S/c1-31-20-9-6-18(7-10-20)16-23-25(30)27-21-17-19(8-11-22(21)32-23)24(29)26-12-15-28-13-4-2-3-5-14-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,26,29)(H,27,30)/b23-16+
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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)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM69912
PNG
((2E)-2-[(3-methylphenyl)methylidene]-3-oxidanylide...)
Show SMILES Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C23H25N3O2S/c1-16-5-4-6-17(13-16)14-21-23(28)25-19-15-18(7-8-20(19)29-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/b21-14+
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n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM69929
PNG
((2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl...)
Show SMILES COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC
Show InChI InChI=1S/C26H31N3O4S/c1-28-20-17-19(25(30)27-11-6-14-29-12-4-5-13-29)8-10-23(20)34-24(26(28)31)16-18-7-9-21(32-2)22(15-18)33-3/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,27,30)/b24-16-
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n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53294
PNG
(1-[(2E)-3-keto-2-(4-methylbenzylidene)-4H-1,4-benz...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C25H26N2O4S/c1-3-31-25(30)18-10-12-27(13-11-18)24(29)19-8-9-21-20(15-19)26-23(28)22(32-21)14-17-6-4-16(2)5-7-17/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,26,28)/b22-14+
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n/an/an/an/a 7.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair