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BDBM43388 (E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]phenyl]anilino]-4-oxo-2-butenoic acid ethyl ester::(E)-4-[2-[2-[[(E)-4-ethoxy-4-keto-but-2-enoyl]amino]phenyl]anilino]-4-keto-but-2-enoic acid ethyl ester::MLS000574522::SMR000195187::cid_5730500::diethyl 4,4'-(2,2'-biphenyldiyldiimino)bis(4-oxo-2-butenoate)::ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate::ethyl (E)-4-[[2-[2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]phenyl]phenyl]amino]-4-oxidanylidene-but-2-enoate

SMILES: CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC

InChI Key: InChIKey=IFBXZGNMQKYVQK-WXUKJITCSA-N

Data: 4 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 43388   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43388
PNG
((E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]ami...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C24H24N2O6/c1-3-31-23(29)15-13-21(27)25-19-11-7-5-9-17(19)18-10-6-8-12-20(18)26-22(28)14-16-24(30)32-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b15-13+,16-14+
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.34E+3n/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
Hsf1 protein


(Mus musculus)
BDBM43388
PNG
((E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]ami...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C24H24N2O6/c1-3-31-23(29)15-13-21(27)25-19-11-7-5-9-17(19)18-10-6-8-12-20(18)26-22(28)14-16-24(30)32-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b15-13+,16-14+
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n/an/an/an/a 1.44E+4n/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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43388
PNG
((E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]ami...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C24H24N2O6/c1-3-31-23(29)15-13-21(27)25-19-11-7-5-9-17(19)18-10-6-8-12-20(18)26-22(28)14-16-24(30)32-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b15-13+,16-14+
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PC sid
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n/an/an/an/a 9.93E+3n/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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43388
PNG
((E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]ami...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C24H24N2O6/c1-3-31-23(29)15-13-21(27)25-19-11-7-5-9-17(19)18-10-6-8-12-20(18)26-22(28)14-16-24(30)32-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b15-13+,16-14+
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PC sid
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n/an/an/an/a 1.32E+6n/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