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PubMed code 23434139

Compile data set for download or QSAR
Found 47 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))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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n/an/a 6n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430573
PNG
(CHEMBL2337373)
Show SMILES Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H13N5/c17-16-20-14(18-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)19-15(13)21-16/h1-9H,(H4,17,18,19,20,21)
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n/an/a 147n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
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 1.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM17747
PNG
((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
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n/an/a 3.70E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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 1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(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 1.22E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430570
PNG
(CHEMBL2337363)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11Cl2N5/c17-8-4-6-9(7-5-8)20-14-13-12-10(18)2-1-3-11(12)21-15(13)23-16(19)22-14/h1-7H,(H4,19,20,21,22,23)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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 1.89E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430564
PNG
(CHEMBL2337369)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19Cl2N5O/c1-21(2,3)19(29)28-20-26-17(24-12-9-7-11(22)8-10-12)16-15-13(23)5-4-6-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430571
PNG
(CHEMBL2337362)
Show SMILES CC(C)c1ccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C19H18ClN5/c1-10(2)11-6-8-12(9-7-11)22-17-16-15-13(20)4-3-5-14(15)23-18(16)25-19(21)24-17/h3-10H,1-2H3,(H4,21,22,23,24,25)
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n/an/a 3.03E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430562
PNG
(CHEMBL2337371)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19ClFN5O/c1-21(2,3)19(29)28-20-26-17(24-12-7-4-6-11(23)10-12)16-15-13(22)8-5-9-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 3.08E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430562
PNG
(CHEMBL2337371)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19ClFN5O/c1-21(2,3)19(29)28-20-26-17(24-12-7-4-6-11(23)10-12)16-15-13(22)8-5-9-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 3.12E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430569
PNG
(CHEMBL2337364)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H10Cl2FN5/c17-7-4-5-10(9(19)6-7)21-14-13-12-8(18)2-1-3-11(12)22-15(13)24-16(20)23-14/h1-6H,(H4,20,21,22,23,24)
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n/an/a 3.89E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430569
PNG
(CHEMBL2337364)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H10Cl2FN5/c17-7-4-5-10(9(19)6-7)21-14-13-12-8(18)2-1-3-11(12)22-15(13)24-16(20)23-14/h1-6H,(H4,20,21,22,23,24)
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n/an/a 3.89E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430565
PNG
(CHEMBL2337368)
Show SMILES CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C24H26ClN5O/c1-13(2)14-9-11-15(12-10-14)26-20-19-18-16(25)7-6-8-17(18)27-21(19)29-23(28-20)30-22(31)24(3,4)5/h6-13H,1-5H3,(H3,26,27,28,29,30,31)
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n/an/a 3.92E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430561
PNG
(CHEMBL2337372)
Show SMILES COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C22H22ClN5O2/c1-22(2,3)20(29)28-21-26-18(24-12-7-5-8-13(11-12)30-4)17-16-14(23)9-6-10-15(16)25-19(17)27-21/h5-11H,1-4H3,(H3,24,25,26,27,28,29)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430571
PNG
(CHEMBL2337362)
Show SMILES CC(C)c1ccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C19H18ClN5/c1-10(2)11-6-8-12(9-7-11)22-17-16-15-13(20)4-3-5-14(15)23-18(16)25-19(21)24-17/h3-10H,1-2H3,(H4,21,22,23,24,25)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430565
PNG
(CHEMBL2337368)
Show SMILES CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C24H26ClN5O/c1-13(2)14-9-11-15(12-10-14)26-20-19-18-16(25)7-6-8-17(18)27-21(19)29-23(28-20)30-22(31)24(3,4)5/h6-13H,1-5H3,(H3,26,27,28,29,30,31)
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n/an/a 4.78E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430567
PNG
(CHEMBL2337366)
Show SMILES COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C17H14ClN5O/c1-24-10-5-2-4-9(8-10)20-15-14-13-11(18)6-3-7-12(13)21-16(14)23-17(19)22-15/h2-8H,1H3,(H4,19,20,21,22,23)
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n/an/a 5.05E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430564
PNG
(CHEMBL2337369)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19Cl2N5O/c1-21(2,3)19(29)28-20-26-17(24-12-9-7-11(22)8-10-12)16-15-13(23)5-4-6-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a 5.87E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430570
PNG
(CHEMBL2337363)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11Cl2N5/c17-8-4-6-9(7-5-8)20-14-13-12-10(18)2-1-3-11(12)21-15(13)23-16(19)22-14/h1-7H,(H4,19,20,21,22,23)
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n/an/a 6.36E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430567
PNG
(CHEMBL2337366)
Show SMILES COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C17H14ClN5O/c1-24-10-5-2-4-9(8-10)20-15-14-13-11(18)6-3-7-12(13)21-16(14)23-17(19)22-15/h2-8H,1H3,(H4,19,20,21,22,23)
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n/an/a 7.01E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430566
PNG
(CHEMBL2337367)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H20ClN5O/c1-21(2,3)19(28)27-20-25-17(23-12-8-5-4-6-9-12)16-15-13(22)10-7-11-14(15)24-18(16)26-20/h4-11H,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 7.06E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430567
PNG
(CHEMBL2337366)
Show SMILES COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C17H14ClN5O/c1-24-10-5-2-4-9(8-10)20-15-14-13-11(18)6-3-7-12(13)21-16(14)23-17(19)22-15/h2-8H,1H3,(H4,19,20,21,22,23)
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n/an/a 8.29E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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 8.31E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430568
PNG
(CHEMBL2337365)
Show SMILES Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11ClFN5/c17-10-5-2-6-11-12(10)13-14(22-16(19)23-15(13)21-11)20-9-4-1-3-8(18)7-9/h1-7H,(H4,19,20,21,22,23)
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n/an/a 8.61E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430563
PNG
(CHEMBL2337370)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H18Cl2FN5O/c1-21(2,3)19(30)29-20-27-17(25-13-8-7-10(22)9-12(13)24)16-15-11(23)5-4-6-14(15)26-18(16)28-20/h4-9H,1-3H3,(H3,25,26,27,28,29,30)
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n/an/a 8.91E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430566
PNG
(CHEMBL2337367)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H20ClN5O/c1-21(2,3)19(28)27-20-25-17(23-12-8-5-4-6-9-12)16-15-13(22)10-7-11-14(15)24-18(16)26-20/h4-11H,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 1.15E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430572
PNG
(CHEMBL2337374)
Show SMILES Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H12ClN5/c17-10-7-4-8-11-12(10)13-14(19-9-5-2-1-3-6-9)21-16(18)22-15(13)20-11/h1-8H,(H4,18,19,20,21,22)
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n/an/a 1.24E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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 1.25E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430561
PNG
(CHEMBL2337372)
Show SMILES COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C22H22ClN5O2/c1-22(2,3)20(29)28-21-26-18(24-12-7-5-8-13(11-12)30-4)17-16-14(23)9-6-10-15(16)25-19(17)27-21/h5-11H,1-4H3,(H3,24,25,26,27,28,29)
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n/an/a 1.31E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430563
PNG
(CHEMBL2337370)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H18Cl2FN5O/c1-21(2,3)19(30)29-20-27-17(25-13-8-7-10(22)9-12(13)24)16-15-11(23)5-4-6-14(15)26-18(16)28-20/h4-9H,1-3H3,(H3,25,26,27,28,29,30)
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n/an/a 1.71E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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 1.72E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430568
PNG
(CHEMBL2337365)
Show SMILES Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11ClFN5/c17-10-5-2-6-11-12(10)13-14(22-16(19)23-15(13)21-11)20-9-4-1-3-8(18)7-9/h1-7H,(H4,19,20,21,22,23)
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n/an/a 1.72E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
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))
BDBM50430566
PNG
(CHEMBL2337367)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H20ClN5O/c1-21(2,3)19(28)27-20-25-17(23-12-8-5-4-6-9-12)16-15-13(22)10-7-11-14(15)24-18(16)26-20/h4-11H,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 1.92E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activati...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430570
PNG
(CHEMBL2337363)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11Cl2N5/c17-8-4-6-9(7-5-8)20-14-13-12-10(18)2-1-3-11(12)21-15(13)23-16(19)22-14/h1-7H,(H4,19,20,21,22,23)
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n/an/a 1.96E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430561
PNG
(CHEMBL2337372)
Show SMILES COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1
Show InChI InChI=1S/C22H22ClN5O2/c1-22(2,3)20(29)28-21-26-18(24-12-7-5-8-13(11-12)30-4)17-16-14(23)9-6-10-15(16)25-19(17)27-21/h5-11H,1-4H3,(H3,24,25,26,27,28,29)
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n/an/a 1.96E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430568
PNG
(CHEMBL2337365)
Show SMILES Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H11ClFN5/c17-10-5-2-6-11-12(10)13-14(22-16(19)23-15(13)21-11)20-9-4-1-3-8(18)7-9/h1-7H,(H4,19,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430564
PNG
(CHEMBL2337369)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19Cl2N5O/c1-21(2,3)19(29)28-20-26-17(24-12-9-7-11(22)8-10-12)16-15-13(23)5-4-6-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430562
PNG
(CHEMBL2337371)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H19ClFN5O/c1-21(2,3)19(29)28-20-26-17(24-12-7-4-6-11(23)10-12)16-15-13(22)8-5-9-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430563
PNG
(CHEMBL2337370)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C21H18Cl2FN5O/c1-21(2,3)19(30)29-20-27-17(25-13-8-7-10(22)9-12(13)24)16-15-11(23)5-4-6-14(15)26-18(16)28-20/h4-9H,1-3H3,(H3,25,26,27,28,29,30)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430572
PNG
(CHEMBL2337374)
Show SMILES Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H12ClN5/c17-10-7-4-8-11-12(10)13-14(19-9-5-2-1-3-6-9)21-16(18)22-15(13)20-11/h1-8H,(H4,18,19,20,21,22)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430571
PNG
(CHEMBL2337362)
Show SMILES CC(C)c1ccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C19H18ClN5/c1-10(2)11-6-8-12(9-7-11)22-17-16-15-13(20)4-3-5-14(15)23-18(16)25-19(21)24-17/h3-10H,1-2H3,(H4,21,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50430572
PNG
(CHEMBL2337374)
Show SMILES Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H12ClN5/c17-10-7-4-8-11-12(10)13-14(19-9-5-2-1-3-6-9)21-16(18)22-15(13)20-11/h1-8H,(H4,18,19,20,21,22)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430565
PNG
(CHEMBL2337368)
Show SMILES CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)cc1
Show InChI InChI=1S/C24H26ClN5O/c1-13(2)14-9-11-15(12-10-14)26-20-19-18-16(25)7-6-8-17(18)27-21(19)29-23(28-20)30-22(31)24(3,4)5/h6-13H,1-5H3,(H3,26,27,28,29,30,31)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50430569
PNG
(CHEMBL2337364)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c21
Show InChI InChI=1S/C16H10Cl2FN5/c17-7-4-5-10(9(19)6-7)21-14-13-12-8(18)2-1-3-11(12)22-15(13)24-16(20)23-14/h1-6H,(H4,20,21,22,23,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-a...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%