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BDBM54724 1-anilino-3-phenyl-1H-pyrrole-2,5-dione::1-anilino-3-phenyl-3-pyrroline-2,5-quinone::1-anilino-3-phenylpyrrole-2,5-dione::3-phenyl-1-phenylazanyl-pyrrole-2,5-dione::MLS000540410::SMR000125668::cid_1484338

SMILES: O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1

InChI Key: InChIKey=SLDRBJYQYWWNTB-UHFFFAOYSA-N

Data: 7 IC50  2 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 = 54724   
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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.58E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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antibodypedia
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n/an/a 2.04E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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n/an/an/an/a 3.91E+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/Q2JQ0ZGP
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
PDB

KEGG

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n/an/an/an/a 1.62E+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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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antibodypedia
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n/an/a 1.68E+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
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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n/an/a 2.88E+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
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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n/an/a 1.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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n/an/a 1.87E+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
Beta-galactosidase


(Escherichia coli)
BDBM54724
PNG
(1-anilino-3-phenyl-1H-pyrrole-2,5-dione | 1-anilin...)
Show SMILES O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H12N2O2/c19-15-11-14(12-7-3-1-4-8-12)16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H
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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