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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50002843   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463626
PNG
(CHEMBL4245415)
Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463635
PNG
(CHEMBL4242522)
Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463628
PNG
(CHEMBL4250210)
Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3
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n/an/a 6.40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463629
PNG
(CHEMBL4237916)
Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3
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n/an/a 7.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463623
PNG
(CHEMBL4239716)
Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3
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n/an/a 7.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463635
PNG
(CHEMBL4242522)
Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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n/an/a 7.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463632
PNG
(CHEMBL4250191)
Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3
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n/an/a 9.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463630
PNG
(CHEMBL4250273)
Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463629
PNG
(CHEMBL4237916)
Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463632
PNG
(CHEMBL4250191)
Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463628
PNG
(CHEMBL4250210)
Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463623
PNG
(CHEMBL4239716)
Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463632
PNG
(CHEMBL4250191)
Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463626
PNG
(CHEMBL4245415)
Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463630
PNG
(CHEMBL4250273)
Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463635
PNG
(CHEMBL4242522)
Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463631
PNG
(CHEMBL4245874)
Show SMILES COc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H13N3O2/c1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463629
PNG
(CHEMBL4237916)
Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463630
PNG
(CHEMBL4250273)
Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463625
PNG
(CHEMBL4241638)
Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463631
PNG
(CHEMBL4245874)
Show SMILES COc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H13N3O2/c1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463628
PNG
(CHEMBL4250210)
Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463623
PNG
(CHEMBL4239716)
Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463626
PNG
(CHEMBL4245415)
Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463625
PNG
(CHEMBL4241638)
Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 83n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463625
PNG
(CHEMBL4241638)
Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12
Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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n/an/a 93n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 125n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 172n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463634
PNG
(CHEMBL4243157)
Show SMILES CN(c1ccc(cc1)[N+]([O-])=O)c1ncnc2occ(C)c12
Show InChI InChI=1S/C14H12N4O3/c1-9-7-21-14-12(9)13(15-8-16-14)17(2)10-3-5-11(6-4-10)18(19)20/h3-8H,1-2H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463634
PNG
(CHEMBL4243157)
Show SMILES CN(c1ccc(cc1)[N+]([O-])=O)c1ncnc2occ(C)c12
Show InChI InChI=1S/C14H12N4O3/c1-9-7-21-14-12(9)13(15-8-16-14)17(2)10-3-5-11(6-4-10)18(19)20/h3-8H,1-2H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463633
PNG
(CHEMBL4240844)
Show SMILES Cc1coc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C13H10N4O3/c1-8-6-20-13-11(8)12(14-7-15-13)16-9-2-4-10(5-3-9)17(18)19/h2-7H,1H3,(H,14,15,16)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463633
PNG
(CHEMBL4240844)
Show SMILES Cc1coc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C13H10N4O3/c1-8-6-20-13-11(8)12(14-7-15-13)16-9-2-4-10(5-3-9)17(18)19/h2-7H,1H3,(H,14,15,16)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463627
PNG
(CHEMBL4247926)
Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463624
PNG
(CHEMBL4237915)
Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463634
PNG
(CHEMBL4243157)
Show SMILES CN(c1ccc(cc1)[N+]([O-])=O)c1ncnc2occ(C)c12
Show InChI InChI=1S/C14H12N4O3/c1-9-7-21-14-12(9)13(15-8-16-14)17(2)10-3-5-11(6-4-10)18(19)20/h3-8H,1-2H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463633
PNG
(CHEMBL4240844)
Show SMILES Cc1coc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C13H10N4O3/c1-8-6-20-13-11(8)12(14-7-15-13)16-9-2-4-10(5-3-9)17(18)19/h2-7H,1H3,(H,14,15,16)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463627
PNG
(CHEMBL4247926)
Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463627
PNG
(CHEMBL4247926)
Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)
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UniChem
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n/an/a>200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50463624
PNG
(CHEMBL4237915)
Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a>200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50463624
PNG
(CHEMBL4237915)
Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a>200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50463631
PNG
(CHEMBL4245874)
Show SMILES COc1ccc(Nc2ncnc3occ(C)c23)cc1
Show InChI InChI=1S/C14H13N3O2/c1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)
PDB
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KEGG

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n/an/a 283n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA


Bioorg Med Chem Lett 28: 3085-3093 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.039
BindingDB Entry DOI: 10.7270/Q24X5BF1
More data for this
Ligand-Target Pair