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BDBM49809 2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-one::2-[(E)-2-(m-tolyl)vinyl]-1H-quinazolin-4-one::2-[(Z)-2-(m-tolyl)vinyl]-1H-quinazolin-4-one::MLS000716115::SMR000277632::cid_5768144

SMILES: Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1

InChI Key: InChIKey=BLVJYZMMPDHHHO-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 49809   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
Show InChI InChI=1S/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 829n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
Show InChI InChI=1S/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
KEGG

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PC cid
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PCBioAssay
n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
Show InChI InChI=1S/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
Show InChI InChI=1S/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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n/an/a 1.25E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
Show InChI InChI=1S/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


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