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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50017475   
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))
BDBM50505838
PNG
(CHEMBL4537790)
Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccc(CN4CCN(C)CC4)cc3N2C1 |r,c:23|
Show InChI InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50505838
PNG
(CHEMBL4537790)
Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccc(CN4CCN(C)CC4)cc3N2C1 |r,c:23|
Show InChI InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602101
PNG
(CHEMBL5206110)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602101
PNG
(CHEMBL5206110)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
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 0.900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602103
PNG
(CHEMBL5180914)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602103
PNG
(CHEMBL5180914)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
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 3.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50505838
PNG
(CHEMBL4537790)
Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccc(CN4CCN(C)CC4)cc3N2C1 |r,c:23|
Show InChI InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602085
PNG
(CHEMBL5206697)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O
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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602100
PNG
(CHEMBL5169346)
Show SMILES COc1cc2ncnc3Nc4ccc(Cl)cc4OCCOCCOCCOc1cc23
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602085
PNG
(CHEMBL5206697)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O
PDB
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n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602095
PNG
(CHEMBL5195531)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCCCCCOc1cc23
PDB
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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602090
PNG
(CHEMBL5186794)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOc1cc23
PDB
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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602102
PNG
(CHEMBL5194285)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCOCCOCCOc1cc23
PDB
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n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602100
PNG
(CHEMBL5169346)
Show SMILES COc1cc2ncnc3Nc4ccc(Cl)cc4OCCOCCOCCOc1cc23
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n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602102
PNG
(CHEMBL5194285)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCOCCOCCOc1cc23
PDB
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n/an/a 43n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602096
PNG
(CHEMBL5184313)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCCCCCOc1cc23
PDB
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n/an/a 57n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602098
PNG
(CHEMBL5204446)
Show SMILES COc1cc2ncnc3Nc4ccccc4OCCOCCOCCOc1cc23
PDB
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n/an/a 88n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
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>100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50505838
PNG
(CHEMBL4537790)
Show SMILES C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccc(CN4CCN(C)CC4)cc3N2C1 |r,c:23|
Show InChI InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602101
PNG
(CHEMBL5206110)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOCCOc1cc23
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n/an/a 103n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602099
PNG
(CHEMBL5192038)
Show SMILES COc1cc2ncnc3Nc4cccc(Cl)c4OCCOCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602091
PNG
(CHEMBL5182465)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602102
PNG
(CHEMBL5194285)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCOCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602090
PNG
(CHEMBL5186794)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602087
PNG
(CHEMBL5185330)
Show SMILES COc1cc2ncnc3Nc4ccccc4OCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602097
PNG
(CHEMBL5208312)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCCCCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602096
PNG
(CHEMBL5184313)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCCCCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602100
PNG
(CHEMBL5169346)
Show SMILES COc1cc2ncnc3Nc4ccc(Cl)cc4OCCOCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602103
PNG
(CHEMBL5180914)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOCCOc1cc23
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602099
PNG
(CHEMBL5192038)
Show SMILES COc1cc2ncnc3Nc4cccc(Cl)c4OCCOCCOCCOc1cc23
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n/an/a 449n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602092
PNG
(CHEMBL5176295)
Show SMILES COc1cc2ncnc3Nc4ccccc4OCCCCCCOc1cc23
PDB
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n/an/a 491n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602105
PNG
(CHEMBL5199106)
Show SMILES COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
PDB
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n/an/a 493n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602088
PNG
(CHEMBL5205073)
Show SMILES COc1cc2ncnc3Nc4cccc(Cl)c4OCCOCCOc1cc23
PDB
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n/an/a 509n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602085
PNG
(CHEMBL5206697)
Show SMILES COc1cc2ncnc(Nc3cc(Cl)c(F)cc3O)c2cc1O
PDB
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n/an/a 609n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602097
PNG
(CHEMBL5208312)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCCCCCOc1cc23
PDB
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n/an/a 655n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602086
PNG
(CHEMBL5190513)
Show SMILES Fc1cc2OCCOCCOc3ccc4ncnc(Nc2cc1Cl)c4c3
PDB
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n/an/a 677n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602087
PNG
(CHEMBL5185330)
Show SMILES COc1cc2ncnc3Nc4ccccc4OCCOCCOc1cc23
PDB
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n/an/a 685n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602096
PNG
(CHEMBL5184313)
Show SMILES COc1cc2ncnc3Nc4c(Cl)cccc4OCCCCCCOc1cc23
PDB
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n/an/a 698n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602095
PNG
(CHEMBL5195531)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)ccc4OCCCCCCOc1cc23
PDB
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n/an/a 739n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602091
PNG
(CHEMBL5182465)
Show SMILES COc1cc2ncnc3Nc4cc(Cl)c(F)cc4OCCOCCOc1cc23
PDB
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n/an/a 821n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602086
PNG
(CHEMBL5190513)
Show SMILES Fc1cc2OCCOCCOc3ccc4ncnc(Nc2cc1Cl)c4c3
PDB
MMDB

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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602105
PNG
(CHEMBL5199106)
Show SMILES COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
PDB
MMDB

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n/an/a 1.12E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602098
PNG
(CHEMBL5204446)
Show SMILES COc1cc2ncnc3Nc4ccccc4OCCOCCOCCOc1cc23
PDB
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n/an/a 1.12E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI: 10.7270/Q2B280CC
More data for this
Ligand-Target Pair
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