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BDBM64221 2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide::2-[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide::MLS001176525::N-(3,5-dimethoxyphenyl)-2-(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)acetamide::N-(3,5-dimethoxyphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide::SMR000592788::cid_3918849

SMILES: COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1

InChI Key: InChIKey=MNKQXVACTXTJAG-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 64221   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hsf1 protein


(Mus musculus)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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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
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing,Auto-inducer 2(AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,luciferase,Luminescence Assay Overview: A modified strain of Vibri...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22R3Q4F
More data for this
Ligand-Target Pair
LuxS


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a 1.57E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z036M0
More data for this
Ligand-Target Pair
LuxS


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PG1Q5Z
More data for this
Ligand-Target Pair
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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PCBioAssay
n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, LuxPQ receptor, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathwa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2736PC9
More data for this
Ligand-Target Pair
LuxS


(Vibrio harveyi)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
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n/an/an/an/a 1.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair