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SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1

InChI Key: InChIKey=DZSUJUOJJJCWGG-UHFFFAOYSA-N

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 19 hits for monomerid = 8826   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3.02n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 720n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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>2.00E+4>-6.34n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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64 -9.71n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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210n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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130n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Shanghai Jiaotong University



Assay Description
Inhibition assay using KDR.


Chem Biol Drug Des 69: 204-11 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00488.x
BindingDB Entry DOI: 10.7270/Q2ZG6QQH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 730n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CKIT


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by HTRF method


Eur J Med Chem 45: 393-404 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.013
BindingDB Entry DOI: 10.7270/Q2RX9C6D
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 6.03n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 724n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair