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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'kirsch' and Initial = 'g'   
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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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1.22E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50174562
PNG
(CHEMBL3809320)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+
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3.71E+4n/an/an/an/an/an/an/an/a



Universit£ de Lorraine

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...


Bioorg Med Chem 24: 2920-2928 (2016)


BindingDB Entry DOI: 10.7270/Q22J6DS9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129830
PNG
(CHEMBL3628798)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H14BrN5OS/c20-12-2-1-3-15(10-12)25-19(26)24-14-6-4-13(5-7-14)23-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H,21,22,23)(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129829
PNG
(CHEMBL3628797)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H16BrN5O/c22-14-4-3-5-17(12-14)27-21(28)26-16-10-8-15(9-11-16)25-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H,23,24,25)(H2,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129828
PNG
(CHEMBL3628796)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20BrN5O3/c1-31-20-11-18-19(12-21(20)32-2)25-13-26-22(18)27-15-6-8-16(9-7-15)28-23(30)29-17-5-3-4-14(24)10-17/h3-13H,1-2H3,(H,25,26,27)(H2,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50380487
PNG
(CHEMBL2018884)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C24H21BrN4O4/c1-14-9-17(7-8-19(14)29-24(30)28-16-6-4-5-15(25)10-16)33-23-18-11-21(31-2)22(32-3)12-20(18)26-13-27-23/h4-13H,1-3H3,(H2,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50380485
PNG
(CHEMBL2018882)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-8-6-15(7-9-17)27-23(29)28-16-5-3-4-14(24)10-16/h3-13H,1-2H3,(H2,27,28,29)
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n/an/a 5n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50380485
PNG
(CHEMBL2018882)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-8-6-15(7-9-17)27-23(29)28-16-5-3-4-14(24)10-16/h3-13H,1-2H3,(H2,27,28,29)
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n/an/a 6n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129831
PNG
(CHEMBL3628799)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H20BrN5OS/c24-14-4-3-5-17(12-14)29-23(30)28-16-10-8-15(9-11-16)27-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H,25,26,27)(H2,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129838
PNG
(CHEMBL3628807)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN4O2/c22-14-4-3-5-16(12-14)26-21(27)25-15-8-10-17(11-9-15)28-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H2,25,26,27)
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n/an/a 7n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129838
PNG
(CHEMBL3628807)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN4O2/c22-14-4-3-5-16(12-14)26-21(27)25-15-8-10-17(11-9-15)28-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H2,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129845
PNG
(CHEMBL3628806)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C23H18BrClN4O4/c1-31-20-10-16-19(11-21(20)32-2)26-12-27-22(16)33-15-6-7-18(17(25)9-15)29-23(30)28-14-5-3-4-13(24)8-14/h3-12H,1-2H3,(H2,28,29,30)
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n/an/a 8n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129843
PNG
(CHEMBL3628810)
Show SMILES Clc1cc(Oc2ncnc3sccc23)ccc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C19H12BrClN4O2S/c20-11-2-1-3-12(8-11)24-19(26)25-16-5-4-13(9-15(16)21)27-17-14-6-7-28-18(14)23-10-22-17/h1-10H,(H2,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50380485
PNG
(CHEMBL2018882)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-8-6-15(7-9-17)27-23(29)28-16-5-3-4-14(24)10-16/h3-13H,1-2H3,(H2,27,28,29)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129828
PNG
(CHEMBL3628796)
Show SMILES COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H20BrN5O3/c1-31-20-11-18-19(12-21(20)32-2)25-13-26-22(18)27-15-6-8-16(9-7-15)28-23(30)29-17-5-3-4-14(24)10-17/h3-13H,1-2H3,(H,25,26,27)(H2,28,29,30)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129838
PNG
(CHEMBL3628807)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN4O2/c22-14-4-3-5-16(12-14)26-21(27)25-15-8-10-17(11-9-15)28-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H2,25,26,27)
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n/an/a 14n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129841
PNG
(CHEMBL3628907)
Show SMILES Clc1cc(Oc2ncnc3sc4CCCCc4c23)ccc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C23H18BrClN4O2S/c24-13-4-3-5-14(10-13)28-23(30)29-18-9-8-15(11-17(18)25)31-21-20-16-6-1-2-7-19(16)32-22(20)27-12-26-21/h3-5,8-12H,1-2,6-7H2,(H2,28,29,30)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50380485
PNG
(CHEMBL2018882)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-8-6-15(7-9-17)27-23(29)28-16-5-3-4-14(24)10-16/h3-13H,1-2H3,(H2,27,28,29)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129844
PNG
(CHEMBL3628809)
Show SMILES Cc1cc(Oc2ncnc3sccc23)ccc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C20H15BrN4O2S/c1-12-9-15(27-18-16-7-8-28-19(16)23-11-22-18)5-6-17(12)25-20(26)24-14-4-2-3-13(21)10-14/h2-11H,1H3,(H2,24,25,26)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50129822
PNG
(CHEMBL1688539)
Show SMILES Fc1ccc(Nc2ncnc3ccccc23)cc1Cl
Show InChI InChI=1S/C14H9ClFN3/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8H,(H,17,18,19)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human EGFR after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129842
PNG
(CHEMBL3628906)
Show SMILES Cc1cc(Oc2ncnc3sc4CCCCc4c23)ccc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C24H21BrN4O2S/c1-14-11-17(9-10-19(14)29-24(30)28-16-6-4-5-15(25)12-16)31-22-21-18-7-2-3-8-20(18)32-23(21)27-13-26-22/h4-6,9-13H,2-3,7-8H2,1H3,(H2,28,29,30)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50380485
PNG
(CHEMBL2018882)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-8-6-15(7-9-17)27-23(29)28-16-5-3-4-14(24)10-16/h3-13H,1-2H3,(H2,27,28,29)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129829
PNG
(CHEMBL3628797)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H16BrN5O/c22-14-4-3-5-17(12-14)27-21(28)26-16-10-8-15(9-11-16)25-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H,23,24,25)(H2,26,27,28)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 55n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129829
PNG
(CHEMBL3628797)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H16BrN5O/c22-14-4-3-5-17(12-14)27-21(28)26-16-10-8-15(9-11-16)25-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H,23,24,25)(H2,26,27,28)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251697
PNG
(CHEMBL4093222)
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50441795
PNG
(CHEMBL2436172)
Show SMILES CC(C)n1c2-c3ccccc3C(=O)c2c2c(O)ccc(O)c12
Show InChI InChI=1S/C18H15NO3/c1-9(2)19-16-10-5-3-4-6-11(10)18(22)15(16)14-12(20)7-8-13(21)17(14)19/h3-9,20-21H,1-2H3
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The University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


Eur J Med Chem 69: 465-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QV3NXV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 200n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251724
PNG
(CHEMBL4066424)
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Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50129831
PNG
(CHEMBL3628799)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H20BrN5OS/c24-14-4-3-5-17(12-14)29-23(30)28-16-10-8-15(9-11-16)27-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H,25,26,27)(H2,28,29,30)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50129838
PNG
(CHEMBL3628807)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN4O2/c22-14-4-3-5-16(12-14)26-21(27)25-15-8-10-17(11-9-15)28-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H2,25,26,27)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 370n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human EGFR after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 400n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR (unknown origin)


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 400n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin)


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251670
PNG
(CHEMBL4085485)
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129831
PNG
(CHEMBL3628799)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Nc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H20BrN5OS/c24-14-4-3-5-17(12-14)29-23(30)28-16-10-8-15(9-11-16)27-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H,25,26,27)(H2,28,29,30)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50380446
PNG
(CHEMBL2018756)
Show SMILES CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C
Show InChI InChI=1S/C20H22N4O4/c1-5-28-20(25)24-15-7-6-13(8-12(15)2)23-19-14-9-17(26-3)18(27-4)10-16(14)21-11-22-19/h6-11H,5H2,1-4H3,(H,24,25)(H,21,22,23)
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n/an/a 500n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
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Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
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