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Patent code US10189853

Compile Data Set for Download or QSAR
Found 42 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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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 3.40n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM331862
PNG
(US10189853, Compound 7)
Show SMILES CN(c1ccc2ccoc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-9H,1-3H3
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n/an/a 5.80n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM331860
PNG
(US10189853, Compound 6)
Show SMILES CN(c1ccc2CCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 6.70n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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 12.9n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069102
PNG
(CHEMBL3403510 | US10189853, Compound 3)
Show SMILES COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)12-6-7-14(21-4)15(9-12)22-5/h6-9H,1-5H3
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n/an/a 18.6n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM158478
PNG
(US10189853, sunitinib | US9029401, Sunitinib | US9...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)11-10-24-22(29)19-13(3)18(25-14(19)4)12-15-20-16(23)8-7-9-17(20)26-21(15)28/h7-9,12,25H,5-6,10-11H2,1-4H3,(H,24,29)(H,26,28)/b15-12-
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n/an/a 18.9n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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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n/an/a 19.1n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069100
PNG
(CHEMBL3403512 | US10189853, Compound 5)
Show SMILES CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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n/an/a 19.9n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM331864
PNG
(US10189853, Compound 8)
Show SMILES COc1ccc2NC(Cc2c1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H20N4O2/c1-10-7-14-17(19-11(2)20-18(14)24-10)22(3)16-9-12-8-13(23-4)5-6-15(12)21-16/h5-8,16,21H,9H2,1-4H3
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n/an/a 20.9n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived 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 22.8n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM331860
PNG
(US10189853, Compound 6)
Show SMILES CN(c1ccc2CCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 24.6n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM331862
PNG
(US10189853, Compound 7)
Show SMILES CN(c1ccc2ccoc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-9H,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069103
PNG
(CHEMBL3403509 | US10189853, Compound 2)
Show SMILES COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)14-7-6-12(21-4)9-15(14)22-5/h6-9H,1-5H3
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n/an/a 32.3n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 33.2n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069097
PNG
(CHEMBL3403518 | US10189853, Compound 11)
Show SMILES CC(C)Oc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)22-15-8-6-14(7-9-15)21(5)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 38.5n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069103
PNG
(CHEMBL3403509 | US10189853, Compound 2)
Show SMILES COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)14-7-6-12(21-4)9-15(14)22-5/h6-9H,1-5H3
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n/an/a 40.4n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069100
PNG
(CHEMBL3403512 | US10189853, Compound 5)
Show SMILES CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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n/an/a 50.1n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 58.2n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069102
PNG
(CHEMBL3403510 | US10189853, Compound 3)
Show SMILES COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)12-6-7-14(21-4)15(9-12)22-5/h6-9H,1-5H3
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n/an/a 66.1n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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 68.2n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM331864
PNG
(US10189853, Compound 8)
Show SMILES COc1ccc2NC(Cc2c1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H20N4O2/c1-10-7-14-17(19-11(2)20-18(14)24-10)22(3)16-9-12-8-13(23-4)5-6-15(12)21-16/h5-8,16,21H,9H2,1-4H3
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n/an/a 73.2n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM158478
PNG
(US10189853, sunitinib | US9029401, Sunitinib | US9...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)11-10-24-22(29)19-13(3)18(25-14(19)4)12-15-20-16(23)8-7-9-17(20)26-21(15)28/h7-9,12,25H,5-6,10-11H2,1-4H3,(H,24,29)(H,26,28)/b15-12-
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n/an/a 83.1n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069097
PNG
(CHEMBL3403518 | US10189853, Compound 11)
Show SMILES CC(C)Oc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)22-15-8-6-14(7-9-15)21(5)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 of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069102
PNG
(CHEMBL3403510 | US10189853, Compound 3)
Show SMILES COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)12-6-7-14(21-4)15(9-12)22-5/h6-9H,1-5H3
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n/an/a 90.3n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069097
PNG
(CHEMBL3403518 | US10189853, Compound 11)
Show SMILES CC(C)Oc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)22-15-8-6-14(7-9-15)21(5)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 102n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM331864
PNG
(US10189853, Compound 8)
Show SMILES COc1ccc2NC(Cc2c1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H20N4O2/c1-10-7-14-17(19-11(2)20-18(14)24-10)22(3)16-9-12-8-13(23-4)5-6-15(12)21-16/h5-8,16,21H,9H2,1-4H3
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n/an/a 103n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069098
PNG
(CHEMBL3403519 | US10189853, Compound 12)
Show SMILES CCOc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-21-14-8-6-13(7-9-14)20(4)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 121n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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 of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069098
PNG
(CHEMBL3403519 | US10189853, Compound 12)
Show SMILES CCOc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-21-14-8-6-13(7-9-14)20(4)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 132n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069103
PNG
(CHEMBL3403509 | US10189853, Compound 2)
Show SMILES COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)14-7-6-12(21-4)9-15(14)22-5/h6-9H,1-5H3
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n/an/a 162n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069101
PNG
(CHEMBL3403511 | US10189853, Compound 4)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O4/c1-10-7-13-17(19-11(2)20-18(13)25-10)21(3)12-8-14(22-4)16(24-6)15(9-12)23-5/h7-9H,1-6H3
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n/an/a 166n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM158478
PNG
(US10189853, sunitinib | US9029401, Sunitinib | US9...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)11-10-24-22(29)19-13(3)18(25-14(19)4)12-15-20-16(23)8-7-9-17(20)26-21(15)28/h7-9,12,25H,5-6,10-11H2,1-4H3,(H,24,29)(H,26,28)/b15-12-
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n/an/a 172n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50069095
PNG
(CHEMBL3403516 | US10189853, Compound 9)
Show SMILES COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
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n/an/a 198n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM331860
PNG
(US10189853, Compound 6)
Show SMILES CN(c1ccc2CCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 226n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069100
PNG
(CHEMBL3403512 | US10189853, Compound 5)
Show SMILES CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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n/an/a 298n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069101
PNG
(CHEMBL3403511 | US10189853, Compound 4)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O4/c1-10-7-13-17(19-11(2)20-18(13)25-10)21(3)12-8-14(22-4)16(24-6)15(9-12)23-5/h7-9H,1-6H3
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n/an/a>300n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

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))
BDBM50069095
PNG
(CHEMBL3403516 | US10189853, Compound 9)
Show SMILES COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
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n/an/a>300n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM331862
PNG
(US10189853, Compound 7)
Show SMILES CN(c1ccc2ccoc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-5-4-12-6-7-21-15(12)9-13/h4-9H,1-3H3
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n/an/a 307n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069098
PNG
(CHEMBL3403519 | US10189853, Compound 12)
Show SMILES CCOc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-21-14-8-6-13(7-9-14)20(4)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>500n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069095
PNG
(CHEMBL3403516 | US10189853, Compound 9)
Show SMILES COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
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n/an/a>500n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50069101
PNG
(CHEMBL3403511 | US10189853, Compound 4)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O4/c1-10-7-13-17(19-11(2)20-18(13)25-10)21(3)12-8-14(22-4)16(24-6)15(9-12)23-5/h7-9H,1-6H3
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n/an/a>500n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%