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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.7
BDBM34273
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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...)
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 384n/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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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UniChem
PCBioAssay
n/an/a 7.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34273
PNG
(3-(3-benzoyl-6-chloro-4,5-dihydroxy-1-benzofuran-7...)
Show SMILES CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15ClO6/c1-9(22)13(10(2)23)15-16(21)19(26)18(25)14-12(8-27-20(14)15)17(24)11-6-4-3-5-7-11/h3-8,13,25-26H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-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/Q2C827QV
More data for this
Ligand-Target Pair