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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'mehany' and Initial = 'abm'   
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))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition and...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468983
PNG
(CHEMBL4282506)
Show SMILES O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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n/an/a 23n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 27n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468983
PNG
(CHEMBL4282506)
Show SMILES O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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n/an/a 34n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition and...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 38n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition and...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468985
PNG
(CHEMBL4281426)
Show SMILES O=C1Nc2ccc(cc2\C1=N\Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18N4O4S/c23-18-17(21-20-13-4-2-1-3-5-13)15-12-14(6-7-16(15)19-18)27(24,25)22-8-10-26-11-9-22/h1-7,12,20H,8-11H2,(H,19,21,23)
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n/an/a 46n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 91n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged HER2 (676-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP ...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468981
PNG
(CHEMBL4284841)
Show SMILES COc1ccc(cc1)C1=C(C#N)C2=NC3=Nc4ccc(cc4C3=NC2C(O)=C1C#N)S(=O)(=O)N1CCOCC1 |c:9,25,30,t:13,15|
Show InChI InChI=1S/C27H20N6O5S/c1-37-16-4-2-15(3-5-16)22-19(13-28)23-25(26(34)20(22)14-29)31-24-18-12-17(6-7-21(18)30-27(24)32-23)39(35,36)33-8-10-38-11-9-33/h2-7,12,25,34H,8-11H2,1H3
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n/an/a 108n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 130n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human EGFR T790M mutant expressed in baculovirus infected Sf21 insect cells preincubated for 5 mins f...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468983
PNG
(CHEMBL4282506)
Show SMILES O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human EGFR T790M mutant expressed in baculovirus infected Sf21 insect cells preincubated for 5 mins f...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468982
PNG
(CHEMBL4289728)
Show SMILES N=c1oc2ccccc2cc1C(=O)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H19N5O6S/c23-20-16(11-13-3-1-2-4-18(13)33-20)21(28)26-25-19-15-12-14(5-6-17(15)24-22(19)29)34(30,31)27-7-9-32-10-8-27/h1-6,11-12,23H,7-10H2,(H,26,28)(H,24,25,29)
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Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 225n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human EGFR T790M mutant expressed in baculovirus infected Sf21 insect cells preincubated for 5 mins f...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50468983
PNG
(CHEMBL4282506)
Show SMILES O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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n/an/a 240n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged HER2 (676-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP ...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1/2/3


(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 250n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR (789-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1/2/3


(Homo sapiens (Human))
BDBM50468983
PNG
(CHEMBL4282506)
Show SMILES O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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n/an/a 276n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR (789-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP...


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549123
PNG
(CHEMBL4779272)
Show SMILES C\C(=N/NC(=O)c1cc(ccc1Cl)[N+]([O-])=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
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TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468489
PNG
(CHEMBL1305588)
Show SMILES C1CCC(CC1)Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C15H17N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,18)
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n/an/a 680n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549119
PNG
(CHEMBL4763393)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O
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n/an/a 684n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549115
PNG
(CHEMBL4784161)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)nc2ccccc2c1=O
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n/an/a 707n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549116
PNG
(CHEMBL4781567)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
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n/an/a 721n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468984
PNG
(CHEMBL4288648)
Show SMILES Oc1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H17N3O5S/c22-13-3-1-12(2-4-13)19-17-15-11-14(5-6-16(15)20-18(17)23)27(24,25)21-7-9-26-10-8-21/h1-6,11,22H,7-10H2,(H,19,20,23)
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n/an/a 751n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468484
PNG
(CHEMBL4288104)
Show SMILES COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1
Show InChI InChI=1S/C19H15N7O2S/c1-28-13-6-4-5-12(9-13)21-16(27)10-29-19-24-23-18-17-22-20-11-25(17)14-7-2-3-8-15(14)26(18)19/h2-9,11H,10H2,1H3,(H,21,27)
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n/an/a 850n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468485
PNG
(CHEMBL4286850)
Show SMILES Fc1ccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)cc1
Show InChI InChI=1S/C18H12FN7OS/c19-11-5-7-12(8-6-11)21-15(27)9-28-18-24-23-17-16-22-20-10-25(16)13-3-1-2-4-14(13)26(17)18/h1-8,10H,9H2,(H,21,27)
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n/an/a 940n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549122
PNG
(CHEMBL4794044)
Show SMILES C\C(=N/NC(N)=S)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549124
PNG
(CHEMBL4777885)
Show SMILES C\C(=N/NC(=O)c1ccccc1O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468490
PNG
(CHEMBL4291398)
Show SMILES Sc1nnc2c3nncn3c3ccccc3n12
Show InChI InChI=1S/C10H6N6S/c17-10-14-13-9-8-12-11-5-15(8)6-3-1-2-4-7(6)16(9)10/h1-5H,(H,14,17)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549117
PNG
(CHEMBL4749461)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NNC(=O)c2ccccc2O)nc2ccccc2c1=O
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n/an/a 1.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468979
PNG
(CHEMBL4280749)
Show SMILES O=C1Nc2ccc(cc2\C1=N\c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C30H28N6O8S2/c37-29-27(23-17-21(5-7-25(23)33-29)45(39,40)35-9-13-43-14-10-35)31-19-1-2-20(4-3-19)32-28-24-18-22(6-8-26(24)34-30(28)38)46(41,42)36-11-15-44-16-12-36/h1-8,17-18H,9-16H2,(H,31,33,37)(H,32,34,38)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468486
PNG
(CHEMBL4281274)
Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1
Show InChI InChI=1S/C16H13N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549118
PNG
(CHEMBL4753486)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NNc2ccccc2)nc2ccccc2c1=O
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468482
PNG
(CHEMBL4291890)
Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)NC1CCCCC1
Show InChI InChI=1S/C16H19N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h4-5,8-11H,1-3,6-7H2,(H,19,20)(H2,18,22,24)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 1.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549120
PNG
(CHEMBL4760160)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)nc2ccccc2c1=O
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n/an/a 1.36E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549121
PNG
(CHEMBL4749856)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(=O)NCc2ccccc2)nc2ccccc2c1=O
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549125
PNG
(CHEMBL4755652)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115872
BindingDB Entry DOI: 10.7270/Q2KH0RZQ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468480
PNG
(CHEMBL4282332)
Show SMILES Clc1ccccc1\C=N\Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C16H11ClN6/c17-12-6-2-1-5-11(12)9-18-21-15-16-22-19-10-23(16)14-8-4-3-7-13(14)20-15/h1-10H,(H,20,21)/b18-9+
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n/an/a 1.91E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468980
PNG
(CHEMBL4289083)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)n(\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)c(=O)c1C#N
Show InChI InChI=1S/C26H21N7O6S/c1-38-16-4-2-15(3-5-16)22-19(13-27)24(29)33(26(35)20(22)14-28)31-23-18-12-17(6-7-21(18)30-25(23)34)40(36,37)32-8-10-39-11-9-32/h2-7,12H,8-11,29H2,1H3,(H,30,31,34)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human HepG2 cells


Eur J Med Chem 156: 918-932 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.061
BindingDB Entry DOI: 10.7270/Q2K64MTP
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468479
PNG
(CHEMBL4280810)
Show SMILES CCCCNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C13H15N5/c1-2-3-8-14-12-13-17-15-9-18(13)11-7-5-4-6-10(11)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,16)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50015825
PNG
(CHEMBL73133 | Methyl-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES CNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C10H9N5/c1-11-9-10-14-12-6-15(10)8-5-3-2-4-7(8)13-9/h2-6H,1H3,(H,11,13)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468483
PNG
(CHEMBL4288069)
Show SMILES CCOC(=O)CSc1nnc2c3nncn3c3ccccc3n12
Show InChI InChI=1S/C14H12N6O2S/c1-2-22-11(21)7-23-14-18-17-13-12-16-15-8-19(12)9-5-3-4-6-10(9)20(13)14/h3-6,8H,2,7H2,1H3
PDB

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UniChem
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n/an/a 2.12E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468488
PNG
(CHEMBL4290204)
Show SMILES Clc1cccc(Cl)c1\C=N\Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C16H10Cl2N6/c17-11-4-3-5-12(18)10(11)8-19-22-15-16-23-20-9-24(16)14-7-2-1-6-13(14)21-15/h1-9H,(H,21,22)/b19-8+
PDB

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n/an/a 2.97E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468481
PNG
(CHEMBL4276735)
Show SMILES S=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1
Show InChI InChI=1S/C16H13N7S/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.98E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468487
PNG
(CHEMBL4284675)
Show SMILES CCNC(=S)NNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C12H13N7S/c1-2-13-12(20)18-16-10-11-17-14-7-19(11)9-6-4-3-5-8(9)15-10/h3-7H,2H2,1H3,(H,15,16)(H2,13,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.38E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair