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3 similar compounds to monomer 54177

Compile data set for download or QSAR
Wt: 331.3
BDBM40481
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Wt: 317.3
BDBM57009
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Wt: 351.7
BDBM62385

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 40481,57009,62385   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM40481
PNG
(Furan-2-carboxylic acid [1-(4-methyl-benzyl)-1H-be...)
Show SMILES Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
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n/an/an/an/a 1.46E+4n/an/an/an/a



Emory University

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/Q2F47MJ9
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57009
PNG
(MLS000066779 | N-(1-benzyl-1H-benzimidazol-2-yl)-2...)
Show SMILES O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C19H15N3O2/c23-18(17-11-6-12-24-17)21-19-20-15-9-4-5-10-16(15)22(19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21,23)
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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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM40481
PNG
(Furan-2-carboxylic acid [1-(4-methyl-benzyl)-1H-be...)
Show SMILES Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM57009
PNG
(MLS000066779 | N-(1-benzyl-1H-benzimidazol-2-yl)-2...)
Show SMILES O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C19H15N3O2/c23-18(17-11-6-12-24-17)21-19-20-15-9-4-5-10-16(15)22(19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62385
PNG
(MLS-0435459.0001 | N-[1-(2-chlorobenzyl)benzimidaz...)
Show SMILES Clc1ccccc1Cn1c(NC(=O)c2ccco2)nc2ccccc12
Show InChI InChI=1S/C19H14ClN3O2/c20-14-7-2-1-6-13(14)12-23-16-9-4-3-8-15(16)21-19(23)22-18(24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62385
PNG
(MLS-0435459.0001 | N-[1-(2-chlorobenzyl)benzimidaz...)
Show SMILES Clc1ccccc1Cn1c(NC(=O)c2ccco2)nc2ccccc12
Show InChI InChI=1S/C19H14ClN3O2/c20-14-7-2-1-6-13(14)12-23-16-9-4-3-8-15(16)21-19(23)22-18(24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM57009
PNG
(MLS000066779 | N-(1-benzyl-1H-benzimidazol-2-yl)-2...)
Show SMILES O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C19H15N3O2/c23-18(17-11-6-12-24-17)21-19-20-15-9-4-5-10-16(15)22(19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62385
PNG
(MLS-0435459.0001 | N-[1-(2-chlorobenzyl)benzimidaz...)
Show SMILES Clc1ccccc1Cn1c(NC(=O)c2ccco2)nc2ccccc12
Show InChI InChI=1S/C19H14ClN3O2/c20-14-7-2-1-6-13(14)12-23-16-9-4-3-8-15(16)21-19(23)22-18(24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM40481
PNG
(Furan-2-carboxylic acid [1-(4-methyl-benzyl)-1H-be...)
Show SMILES Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM57009
PNG
(MLS000066779 | N-(1-benzyl-1H-benzimidazol-2-yl)-2...)
Show SMILES O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C19H15N3O2/c23-18(17-11-6-12-24-17)21-19-20-15-9-4-5-10-16(15)22(19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM40481
PNG
(Furan-2-carboxylic acid [1-(4-methyl-benzyl)-1H-be...)
Show SMILES Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair