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6 similar compounds to monomer 54414

Compile data set for download or QSAR
Wt: 392.8
BDBM3699
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Wt: 325.2
BDBM54464
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Wt: 346.3
BDBM77583
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Wt: 319.2
BDBM76677
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Wt: 317.3
BDBM95546
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Wt: 317.3
BDBM95558
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 3699,54464,77583,76677,95546,95558   
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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n/an/a 1.55E+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/Q23R0R8T
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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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/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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n/an/a 7.18E+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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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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, C...


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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n/an/a 1.97E+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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
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n/an/a 1.38E+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/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
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n/an/a 2.82E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
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n/an/a 2.29E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77583
PNG
(5-Nitro-furan-2-carboxylic acid (6-acetylamino-ben...)
Show SMILES CC(=O)Nc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C14H10N4O5S/c1-7(19)15-8-2-3-9-11(6-8)24-14(16-9)17-13(20)10-4-5-12(23-10)18(21)22/h2-6H,1H3,(H,15,19)(H,16,17,20)
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n/an/a>1.19E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM3699
PNG
(cid_7292627)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-2-1-3-12-14(10)18-16(26-12)20-8-6-19(7-9-20)15(22)11-4-5-13(25-11)21(23)24/h1-5H,6-9H2
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n/an/an/an/a 3.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23N220P
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM3699
PNG
(cid_7292627)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-2-1-3-12-14(10)18-16(26-12)20-8-6-19(7-9-20)15(22)11-4-5-13(25-11)21(23)24/h1-5H,6-9H2
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n/an/an/an/a 860n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2B27SW7
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95546
PNG
(5-Nitro-furan-2-carboxylic acid (4,6-dimethyl-benz...)
Show SMILES Cc1cc(C)c2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C14H11N3O4S/c1-7-5-8(2)12-10(6-7)22-14(15-12)16-13(18)9-3-4-11(21-9)17(19)20/h3-6H,1-2H3,(H,15,16,18)
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n/an/a>3.59E+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/Q22F7M18
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95558
PNG
(MLS001066669 | N-(5,7-dimethyl-1,3-benzothiazol-2-...)
Show SMILES Cc1cc(C)c2sc(NC(=O)c3ccc(o3)[N+]([O-])=O)nc2c1
Show InChI InChI=1S/C14H11N3O4S/c1-7-5-8(2)12-9(6-7)15-14(22-12)16-13(18)10-3-4-11(21-10)17(19)20/h3-6H,1-2H3,(H,15,16,18)
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n/an/a>3.58E+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/Q22F7M18
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54464
PNG
(MLS001066639 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
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n/an/an/an/a 1.20E+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)


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