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6 similar compounds to monomer 51918

Wt: 279.3
BDBM49500
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Wt: 342.3
BDBM54248
Wt: 279.3
BDBM56539
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Wt: 297.3
BDBM72397
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Wt: 344.2
BDBM79549
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Wt: 400.4
BDBM83583
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 49500,54248,56539,72397,79549,83583   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49500
PNG
(MLS000324854 | N-(3-cinnamoylphenyl)propanamide | ...)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-18(21)19-16-10-6-9-15(13-16)17(20)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
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n/an/an/an/a 3.19E+6n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens)
BDBM49500
PNG
(MLS000324854 | N-(3-cinnamoylphenyl)propanamide | ...)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-18(21)19-16-10-6-9-15(13-16)17(20)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
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n/an/a 2.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM56539
PNG
(MLS000578482 | N-[3-[(E)-3-(4-methylphenyl)-1-oxop...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(C)cc1
Show InChI InChI=1S/C18H17NO2/c1-13-6-8-15(9-7-13)10-11-18(21)16-4-3-5-17(12-16)19-14(2)20/h3-12H,1-2H3,(H,19,20)/b11-10+
PDB
MMDB

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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)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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MMDB

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n/an/an/an/a 4.72E+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...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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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, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM56539
PNG
(MLS000578482 | N-[3-[(E)-3-(4-methylphenyl)-1-oxop...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(C)cc1
Show InChI InChI=1S/C18H17NO2/c1-13-6-8-15(9-7-13)10-11-18(21)16-4-3-5-17(12-16)19-14(2)20/h3-12H,1-2H3,(H,19,20)/b11-10+
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n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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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, C...


Citation and Details
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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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, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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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, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72397
PNG
(MLS000663866 | N-[3-[(E)-3-(4-fluorophenyl)-1-oxop...)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO2/c1-2-18(22)20-16-5-3-4-14(12-16)17(21)11-8-13-6-9-15(19)10-7-13/h3-12H,2H2,1H3,(H,20,22)/b11-8+
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n/an/an/an/a 1.17E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)

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


(Homo sapiens)
BDBM79549
PNG
(MLS000666198 | N-[3-[(E)-3-(4-bromophenyl)-1-oxopr...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C17H14BrNO2/c1-12(20)19-16-4-2-3-14(11-16)17(21)10-7-13-5-8-15(18)9-6-13/h2-11H,1H3,(H,19,20)/b10-7+
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n/an/an/an/a 1.33E+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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83583
PNG
(MLS000402293 | N-ethyl-N-[2-[(5-nitro-8-quinolinyl...)
Show SMILES CCN(CCNc1ccc([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-22(28(26,27)15-7-4-3-5-8-15)14-13-20-17-10-11-18(23(24)25)16-9-6-12-21-19(16)17/h3-12,20H,2,13-14H2,1H3
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n/an/an/an/a>9.90E+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...


Citation and Details
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83583
PNG
(MLS000402293 | N-ethyl-N-[2-[(5-nitro-8-quinolinyl...)
Show SMILES CCN(CCNc1ccc([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-22(28(26,27)15-7-4-3-5-8-15)14-13-20-17-10-11-18(23(24)25)16-9-6-12-21-19(16)17/h3-12,20H,2,13-14H2,1H3
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n/an/an/an/a>9.90E+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...


Citation and Details
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens)
BDBM49500
PNG
(MLS000324854 | N-(3-cinnamoylphenyl)propanamide | ...)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-18(21)19-16-10-6-9-15(13-16)17(20)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
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n/an/a 1.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM49500
PNG
(MLS000324854 | N-(3-cinnamoylphenyl)propanamide | ...)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-18(21)19-16-10-6-9-15(13-16)17(20)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
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n/an/a 2.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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n/an/a 7.67E+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...


Citation and Details
More data for this
Ligand-Target Pair