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2 similar compounds to monomer 40234

Compile data set for download or QSAR
Wt: 365.4
BDBM34295
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Wt: 430.3
BDBM54721
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 34295,54721   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 434n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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n/an/a 3.55E+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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM54721
PNG
(3-(4-bromophenyl)-6-keto-8-(5-methyl-2-furyl)-2,4,...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrN3O2S/c1-12-2-7-17(25-12)15-8-18(24)23-10-22(11-26-19(23)16(15)9-21)14-5-3-13(20)4-6-14/h2-7,15H,8,10-11H2,1H3
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KEGG

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n/an/a 1.40E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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KEGG

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n/an/a 2.23E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.14E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM54721
PNG
(3-(4-bromophenyl)-6-keto-8-(5-methyl-2-furyl)-2,4,...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrN3O2S/c1-12-2-7-17(25-12)15-8-18(24)23-10-22(11-26-19(23)16(15)9-21)14-5-3-13(20)4-6-14/h2-7,15H,8,10-11H2,1H3
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n/an/a 7.09E+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/Q2XS5ST3
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54721
PNG
(3-(4-bromophenyl)-6-keto-8-(5-methyl-2-furyl)-2,4,...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrN3O2S/c1-12-2-7-17(25-12)15-8-18(24)23-10-22(11-26-19(23)16(15)9-21)14-5-3-13(20)4-6-14/h2-7,15H,8,10-11H2,1H3
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n/an/a 9.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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n/an/a 6.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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n/an/a>4.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair