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PubMed code 24890652

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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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PubMed
n/an/a 1.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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n/an/a 8.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022522
PNG
(CHEMBL3297899)
Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
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 VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022540
PNG
(CHEMBL3297892)
Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1
Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022541
PNG
(CHEMBL3297999)
Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
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 VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022541
PNG
(CHEMBL3297999)
Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 23n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022522
PNG
(CHEMBL3297899)
Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022544
PNG
(CHEMBL3297896)
Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1
Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)
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n/an/a 28n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022540
PNG
(CHEMBL3297892)
Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1
Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022545
PNG
(CHEMBL3297894)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1
Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022547
PNG
(CHEMBL3297891)
Show SMILES Cc1cc2c(Nc3cccc4ccccc34)nc(C)nc2o1
Show InChI InChI=1S/C18H15N3O/c1-11-10-15-17(19-12(2)20-18(15)22-11)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,19,20,21)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022504
PNG
(CHEMBL3297998)
Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 42n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 43n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022514
PNG
(CHEMBL3297816)
Show SMILES Cc1cc2c(Nc3ccccc3)nc(C)nc2o1
Show InChI InChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
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n/an/a 50n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022504
PNG
(CHEMBL3297998)
Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3
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n/an/a 57n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022545
PNG
(CHEMBL3297894)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1
Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)
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n/an/a 58n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 64n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022543
PNG
(CHEMBL3297893)
Show SMILES Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1
Show InChI InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)
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n/an/a 66n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022543
PNG
(CHEMBL3297893)
Show SMILES Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1
Show InChI InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)
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n/an/a 66n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 68n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022548
PNG
(CHEMBL3297895)
Show SMILES Cc1cc2c(Nc3ccc(Cl)cc3)nc(C)nc2o1
Show InChI InChI=1S/C14H12ClN3O/c1-8-7-12-13(16-9(2)17-14(12)19-8)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,17,18)
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n/an/a 70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022522
PNG
(CHEMBL3297899)
Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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n/an/a 71n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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n/an/a 73n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022540
PNG
(CHEMBL3297892)
Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1
Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)
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n/an/a 76n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 82n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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 PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022541
PNG
(CHEMBL3297999)
Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 84n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022544
PNG
(CHEMBL3297896)
Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1
Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)
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n/an/a 90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
BDBM50022544
PNG
(CHEMBL3297896)
Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1
Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)
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n/an/a 102n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022548
PNG
(CHEMBL3297895)
Show SMILES Cc1cc2c(Nc3ccc(Cl)cc3)nc(C)nc2o1
Show InChI InChI=1S/C14H12ClN3O/c1-8-7-12-13(16-9(2)17-14(12)19-8)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,17,18)
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n/an/a 102n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022514
PNG
(CHEMBL3297816)
Show SMILES Cc1cc2c(Nc3ccccc3)nc(C)nc2o1
Show InChI InChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
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n/an/a 113n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022543
PNG
(CHEMBL3297893)
Show SMILES Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1
Show InChI InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)
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n/an/a 122n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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))
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 VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022547
PNG
(CHEMBL3297891)
Show SMILES Cc1cc2c(Nc3cccc4ccccc34)nc(C)nc2o1
Show InChI InChI=1S/C18H15N3O/c1-11-10-15-17(19-12(2)20-18(15)22-11)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 145n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
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 EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022504
PNG
(CHEMBL3297998)
Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%