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5 similar compounds to monomer 76592

Compile data set for download or QSAR
Wt: 262.3
BDBM49809
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Wt: 298.3
BDBM55702
Wt: 282.7
BDBM61741
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Wt: 262.3
BDBM76534
Wt: 248.2
BDBM50012666
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 49809,55702,61741,76534,50012666   
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
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)/b10-9+
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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
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55702
PNG
(2-[(E)-2-(1-naphthalenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES O=c1[nH]c(C=Cc2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C20H14N2O/c23-20-17-10-3-4-11-18(17)21-19(22-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12+
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n/an/a 5.00E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61741
PNG
(2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
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n/an/a 5.68E+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
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
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)/b10-9+
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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)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76534
PNG
(2-[(Z)-2-(2-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C17H14N2O/c1-12-6-2-3-7-13(12)10-11-16-18-15-9-5-4-8-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b11-10-
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n/an/a 3.24E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM61741
PNG
(2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
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n/an/a 1.40E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50012666
PNG
(2-((E)-Styryl)-3H-quinazolin-4-one | 2-Styryl-3H-q...)
Show SMILES O=c1[nH]c(C=Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+
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CHEMBL
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76534
PNG
(2-[(Z)-2-(2-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C17H14N2O/c1-12-6-2-3-7-13(12)10-11-16-18-15-9-5-4-8-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b11-10-
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n/an/a 2.64E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM61741
PNG
(2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
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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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76534
PNG
(2-[(Z)-2-(2-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C17H14N2O/c1-12-6-2-3-7-13(12)10-11-16-18-15-9-5-4-8-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b11-10-
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n/an/a 2.74E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
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
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)/b10-9+
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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
XBP1


(Homo sapiens (Human))
BDBM49809
PNG
(2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1
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)/b10-9+
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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
Liver X receptor (LXR alpha AND 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
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)/b10-9+
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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
Caspase-3


(Homo sapiens (Human))
BDBM61741
PNG
(2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-...)
Show SMILES Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
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n/an/a 1.61E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair