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BDBM69620 (4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone::(4-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone::(4-bromophenyl)-(5-hydroxy-3-benzofuranyl)methanone::(4-bromophenyl)-(5-hydroxybenzofuran-3-yl)methanone::(4-bromophenyl)-(5-oxidanyl-1-benzofuran-3-yl)methanone::MLS001178337::SMR000476405::cid_900927

SMILES: Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1

InChI Key: InChIKey=ASNZTVAKQDBAGG-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 69620   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69620
PNG
((4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methan...)
Show SMILES Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
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PCBioAssay
n/an/an/an/a 1.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM69620
PNG
((4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methan...)
Show SMILES Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
PDB
MMDB

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KEGG

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PCBioAssay
n/an/a 1.90E+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
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM69620
PNG
((4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methan...)
Show SMILES Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
PDB

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Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


Eur J Med Chem 60: 441-50 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.026
BindingDB Entry DOI: 10.7270/Q2WW7K0B
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM69620
PNG
((4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methan...)
Show SMILES Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
KEGG

UniProtKB/SwissProt

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PC cid
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PCBioAssay
n/an/a 6.00E+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/Q27H1H10
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM69620
PNG
((4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methan...)
Show SMILES Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.94E+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/Q2MS3R7H
More data for this
Ligand-Target Pair