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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.3
BDBM61534
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
X-box-binding protein 1


(Homo sapiens (Human))
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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UniProtKB/SwissProt

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PCBioAssay
n/an/a 300n/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)
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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n/an/a 520n/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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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n/an/a 520n/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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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n/an/a 5.21E+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/Q2348HSG
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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MMDB

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B.MOAD
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n/an/a>2.00E+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/Q2X34VX0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activation of SOS1 in human HeLa cells assessed as increase in RAS-GTP levels after 30 mins by pull-down assay


ACS Med Chem Lett 9: 941-946 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00296
BindingDB Entry DOI: 10.7270/Q2MS3WDD
More data for this
Ligand-Target Pair