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BDBM66070 1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione::1-(2-benzoylphenyl)-3-pyrroline-2,5-quinone::1-(2-benzoylphenyl)pyrrole-2,5-dione::1-[2-(phenylcarbonyl)phenyl]pyrrole-2,5-dione::MLS000861680::SMR000460464::cid_2731237

SMILES: O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O

InChI Key: InChIKey=OENCJIAWGLCCKK-UHFFFAOYSA-N

Data: 6 IC50  1 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 = 66070   
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
LAP4


(Saccharomyces cerevisiae)
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 2.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
PDB
MMDB

UniProtKB/SwissProt

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n/an/a>6.66E+4n/an/an/an/an/an/a



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/Q2NG4P4X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
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n/an/a 2.32E+4n/an/an/an/an/an/a



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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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n/an/a 1.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
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MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 1.53E+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) 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


(Pseudomonas aeruginosa)
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
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MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM66070
PNG
(1-(2-benzoylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dio...)
Show SMILES O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
Show InChI InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H
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n/an/a 1.02E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


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