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BDBM50324735 (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE::5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione::AS-605240::AS605240::CHEMBL568150

SMILES: OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1

InChI Key: InChIKey=SQWZFLMPDUSYGV-UHFFFAOYSA-N

Data: 16 IC50

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50324735   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 60n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 300n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 8n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PI3Kgamma incubated for 180 mins using [33P]gamma-ATP by scintillation proximity assay


Bioorg Med Chem 23: 2953-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged PI3K-gamma (39 to 1102 residues) expressed n baculovirus infected TN5 cells using phosphatidyli...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay


Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.66E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry


Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 270n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair