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BDBM47600 (E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2-propen-1-one::(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one::MLS000416450::SMR000264251::cid_5379238

SMILES: CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1

InChI Key: InChIKey=BYLKWMPIZGRAOD-VGOFMYFVSA-N

Data: 6 IC50  3 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 9 hits for monomerid = 47600   
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
glutathione S-transferase


(Homo sapiens (Human))
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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n/an/an/an/a 1.12E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.38E+3n/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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB

KEGG

UniProtKB/TrEMBL

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n/an/an/an/a 1.38E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.35E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 3.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 3.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
MMDB

UniProtKB/TrEMBL

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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
UniProtKB/SwissProt

antibodypedia
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
PDB
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KEGG

UniProtKB/TrEMBL

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n/an/a 8.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair