BindingDB logo
myBDB logout

BDBM576 1-Diphenylamino-pyrrole-2,5-dione::MLS000590474::SMR000217435::cid_909748

SMILES: O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1

InChI Key: InChIKey=GNJRQNRUJSOHEX-UHFFFAOYSA-N

Data: 7 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 10 hits for monomerid = 576   
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.14E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.65E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2959FWK
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.03E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25D8Q6Q
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 2.14E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


Article DOI: 10.1038/42506
BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.70E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.95E+3n/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: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.95E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM576
PNG
(1-Diphenylamino-pyrrole-2,5-dione | MLS000590474 |...)
Show SMILES O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-11-12-16(20)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.20E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair