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BDBM34886 (E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)coumaran-5-yl]acrylic acid::(E)-3-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid::(E)-3-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl]-2-propenoic acid::(E)-3-[6-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid::MLS000703346::SMR000273810::cid_5759329

SMILES: CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1

InChI Key: InChIKey=JHVOYMJGCHKJNF-ONEGZZNKSA-N

Data: 4 IC50

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 4 hits for monomerid = 34886   
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
MPI protein


(Homo sapiens (Human))
BDBM34886
PNG
((E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)couma...)
Show SMILES CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
Show InChI InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+
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PC sid
UniChem
PCBioAssay
n/an/a 8.63E+3n/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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM34886
PNG
((E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)couma...)
Show SMILES CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
Show InChI InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.82E+4n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM34886
PNG
((E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)couma...)
Show SMILES CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
Show InChI InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+
PDB
MMDB

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PC sid
UniChem
PCBioAssay
n/an/a 1.72E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM34886
PNG
((E)-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)couma...)
Show SMILES CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
Show InChI InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.04E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair