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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 43491   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43491
PNG
((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+
PDB
MMDB

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PCBioAssay
n/an/an/an/a 220n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43491
PNG
((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+
PDB
MMDB

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KEGG

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MCE
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PCBioAssay
n/an/an/an/a 1.82E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM43491
PNG
((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43491
PNG
((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
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PCBioAssay
n/an/an/an/a 6.48E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair