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PubMed code 26829280

Compile data set for download or QSAR
Found 26 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))		BDBM50147004
PNG
(CHEMBL3765263)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-9-3-6-38-7-10-41-11-8-38)31(35-21-34-28)36-26-5-2-4-25(15-26)32(39)37-33-18-22-12-23(19-33)14-24(13-22)20-33/h2,4-5,15-17,21-24H,3,6-14,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 1.10n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146998
PNG
(CHEMBL3764603)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCOC |TLB:24:25:29:28.22.23,THB:26:27:30.24.25:22,26:25:29.27.28:22,24:23:29:30.25.26|
Show InChI InChI=1S/C31H38N4O5/c1-37-6-8-39-27-14-25-26(15-28(27)40-9-7-38-2)32-19-33-29(25)34-23-4-3-5-24(13-23)35-30(36)31-16-20-10-21(17-31)12-22(11-20)18-31/h3-5,13-15,19-22H,6-12,16-18H2,1-2H3,(H,35,36)(H,32,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147002
PNG
(CHEMBL3763627)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-10-2-7-38-8-11-41-12-9-38)31(35-21-34-28)36-26-5-3-25(4-6-26)32(39)37-33-18-22-13-23(19-33)15-24(14-22)20-33/h3-6,16-17,21-24H,2,7-15,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 2n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146995
PNG
(CHEMBL3764589)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(C)c3)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O5/c1-20-10-24(4-5-26(20)36-31(37)32-16-21-11-22(17-32)13-23(12-21)18-32)35-30-25-14-28(40-8-6-38-2)29(41-9-7-39-3)15-27(25)33-19-34-30/h4-5,10,14-15,19,21-23H,6-9,11-13,16-18H2,1-3H3,(H,36,37)(H,33,34,35)
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n/an/a 2.90n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146997
PNG
(CHEMBL3765789)
Show SMILES COc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCCN1CCOCC1 |TLB:27:18:25:21.22.23,THB:23:22:19:25.24.26,23:24:21.22.27:19,27:22:25:18.19.26,16:18:25:21.22.23|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-9-3-6-38-7-10-41-11-8-38)31(35-21-34-28)36-25-4-2-5-26(15-25)37-32(39)33-18-22-12-23(19-33)14-24(13-22)20-33/h2,4-5,15-17,21-24H,3,6-14,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 3.10n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146996
PNG
(CHEMBL3764312)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3C)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O5/c1-20-10-24(35-31(37)32-16-21-11-22(17-32)13-23(12-21)18-32)4-5-26(20)36-30-25-14-28(40-8-6-38-2)29(41-9-7-39-3)15-27(25)33-19-34-30/h4-5,10,14-15,19,21-23H,6-9,11-13,16-18H2,1-3H3,(H,35,37)(H,33,34,36)
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n/an/a 4.5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147001
PNG
(CHEMBL3763405)
Show SMILES COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(Cl)c3)c2cc1OCCCN1CCOCC1 |TLB:26:17:24:20.21.22,THB:22:21:18:24.23.25,22:23:20.21.26:18,26:21:24:17.18.25,16:17:24:20.21.22|
Show InChI InChI=1S/C33H40ClN5O4/c1-41-29-16-28-26(15-30(29)43-8-2-5-39-6-9-42-10-7-39)31(36-20-35-28)37-24-3-4-25(27(34)14-24)32(40)38-33-17-21-11-22(18-33)13-23(12-21)19-33/h3-4,14-16,20-23H,2,5-13,17-19H2,1H3,(H,38,40)(H,35,36,37)
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n/an/a 4.60n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147000
PNG
(CHEMBL3765425)
Show SMILES COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(c3)C#N)c2cc1OCCCN1CCOCC1 |TLB:26:17:24:20.21.22,THB:22:21:18:24.23.25,22:23:20.21.26:18,26:21:24:17.18.25,16:17:24:20.21.22|
Show InChI InChI=1S/C34H40N6O4/c1-42-30-16-29-28(15-31(30)44-8-2-5-40-6-9-43-10-7-40)32(37-21-36-29)38-26-3-4-27(25(14-26)20-35)33(41)39-34-17-22-11-23(18-34)13-24(12-22)19-34/h3-4,14-16,21-24H,2,5-13,17-19H2,1H3,(H,39,41)(H,36,37,38)
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n/an/a 4.70n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146993
PNG
(CHEMBL3763796)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(c3)C#N)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H37N5O5/c1-39-5-7-41-28-13-25-27(14-29(28)42-8-6-40-2)34-19-35-30(25)36-24-3-4-26(23(12-24)18-33)37-31(38)32-15-20-9-21(16-32)11-22(10-20)17-32/h3-4,12-14,19-22H,5-11,15-17H2,1-2H3,(H,37,38)(H,34,35,36)
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n/an/a 5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147002
PNG
(CHEMBL3763627)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-10-2-7-38-8-11-41-12-9-38)31(35-21-34-28)36-26-5-3-25(4-6-26)32(39)37-33-18-22-13-23(19-33)15-24(14-22)20-33/h3-6,16-17,21-24H,2,7-15,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 5.40n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147000
PNG
(CHEMBL3765425)
Show SMILES COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(c3)C#N)c2cc1OCCCN1CCOCC1 |TLB:26:17:24:20.21.22,THB:22:21:18:24.23.25,22:23:20.21.26:18,26:21:24:17.18.25,16:17:24:20.21.22|
Show InChI InChI=1S/C34H40N6O4/c1-42-30-16-29-28(15-31(30)44-8-2-5-40-6-9-43-10-7-40)32(37-21-36-29)38-26-3-4-27(25(14-26)20-35)33(41)39-34-17-22-11-23(18-34)13-24(12-22)19-34/h3-4,14-16,21-24H,2,5-13,17-19H2,1H3,(H,39,41)(H,36,37,38)
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n/an/a 5.70n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146994
PNG
(CHEMBL3763757)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O6/c1-38-6-8-41-28-14-24-26(15-29(28)42-9-7-39-2)33-19-34-30(24)35-23-4-5-25(27(13-23)40-3)36-31(37)32-16-20-10-21(17-32)12-22(11-20)18-32/h4-5,13-15,19-22H,6-12,16-18H2,1-3H3,(H,36,37)(H,33,34,35)
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n/an/a 5.90n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146999
PNG
(CHEMBL3765815)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCOC |TLB:31:22:29:25.26.27,THB:21:22:29:25.26.27,27:26:23:29.28.30,27:28:25.26.31:23,31:26:29:22.23.30|
Show InChI InChI=1S/C31H38N4O5/c1-37-7-9-39-27-14-25-26(15-28(27)40-10-8-38-2)32-19-33-29(25)34-24-5-3-23(4-6-24)30(36)35-31-16-20-11-21(17-31)13-22(12-20)18-31/h3-6,14-15,19-22H,7-13,16-18H2,1-2H3,(H,35,36)(H,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147001
PNG
(CHEMBL3763405)
Show SMILES COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(Cl)c3)c2cc1OCCCN1CCOCC1 |TLB:26:17:24:20.21.22,THB:22:21:18:24.23.25,22:23:20.21.26:18,26:21:24:17.18.25,16:17:24:20.21.22|
Show InChI InChI=1S/C33H40ClN5O4/c1-41-29-16-28-26(15-30(29)43-8-2-5-39-6-9-42-10-7-39)31(36-20-35-28)37-24-3-4-25(27(34)14-24)32(40)38-33-17-21-11-22(18-33)13-23(12-21)19-33/h3-4,14-16,20-23H,2,5-13,17-19H2,1H3,(H,38,40)(H,35,36,37)
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n/an/a 6.40n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146999
PNG
(CHEMBL3765815)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCOC |TLB:31:22:29:25.26.27,THB:21:22:29:25.26.27,27:26:23:29.28.30,27:28:25.26.31:23,31:26:29:22.23.30|
Show InChI InChI=1S/C31H38N4O5/c1-37-7-9-39-27-14-25-26(15-28(27)40-10-8-38-2)32-19-33-29(25)34-24-5-3-23(4-6-24)30(36)35-31-16-20-11-21(17-31)13-22(12-20)18-31/h3-6,14-15,19-22H,7-13,16-18H2,1-2H3,(H,35,36)(H,32,33,34)
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n/an/a 9.60n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146993
PNG
(CHEMBL3763796)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(c3)C#N)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H37N5O5/c1-39-5-7-41-28-13-25-27(14-29(28)42-8-6-40-2)34-19-35-30(25)36-24-3-4-26(23(12-24)18-33)37-31(38)32-15-20-9-21(16-32)11-22(10-20)17-32/h3-4,12-14,19-22H,5-11,15-17H2,1-2H3,(H,37,38)(H,34,35,36)
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n/an/a 10n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146994
PNG
(CHEMBL3763757)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O6/c1-38-6-8-41-28-14-24-26(15-29(28)42-9-7-39-2)33-19-34-30(24)35-23-4-5-25(27(13-23)40-3)36-31(37)32-16-20-10-21(17-32)12-22(11-20)18-32/h4-5,13-15,19-22H,6-12,16-18H2,1-3H3,(H,36,37)(H,33,34,35)
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n/an/a 11n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147004
PNG
(CHEMBL3765263)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-9-3-6-38-7-10-41-11-8-38)31(35-21-34-28)36-26-5-2-4-25(15-26)32(39)37-33-18-22-12-23(19-33)14-24(13-22)20-33/h2,4-5,15-17,21-24H,3,6-14,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 12n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146998
PNG
(CHEMBL3764603)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCOC |TLB:24:25:29:28.22.23,THB:26:27:30.24.25:22,26:25:29.27.28:22,24:23:29:30.25.26|
Show InChI InChI=1S/C31H38N4O5/c1-37-6-8-39-27-14-25-26(15-28(27)40-9-7-38-2)32-19-33-29(25)34-23-4-3-5-24(13-23)35-30(36)31-16-20-10-21(17-31)12-22(11-20)18-31/h3-5,13-15,19-22H,6-12,16-18H2,1-2H3,(H,35,36)(H,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147003
PNG
(CHEMBL3763701)
Show SMILES COc1cc2ncnc(Nc3cc(ccc3C)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25|
Show InChI InChI=1S/C34H43N5O4/c1-22-4-5-26(33(40)38-34-18-23-12-24(19-34)14-25(13-23)20-34)15-28(22)37-32-27-16-31(30(41-2)17-29(27)35-21-36-32)43-9-3-6-39-7-10-42-11-8-39/h4-5,15-17,21,23-25H,3,6-14,18-20H2,1-2H3,(H,38,40)(H,35,36,37)
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n/an/a 15n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
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 16n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146996
PNG
(CHEMBL3764312)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3C)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O5/c1-20-10-24(35-31(37)32-16-21-11-22(17-32)13-23(12-21)18-32)4-5-26(20)36-30-25-14-28(40-8-6-38-2)29(41-9-7-39-3)15-27(25)33-19-34-30/h4-5,10,14-15,19,21-23H,6-9,11-13,16-18H2,1-3H3,(H,35,37)(H,33,34,36)
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n/an/a 17n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50147003
PNG
(CHEMBL3763701)
Show SMILES COc1cc2ncnc(Nc3cc(ccc3C)C(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1OCCCN1CCOCC1 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25|
Show InChI InChI=1S/C34H43N5O4/c1-22-4-5-26(33(40)38-34-18-23-12-24(19-34)14-25(13-23)20-34)15-28(22)37-32-27-16-31(30(41-2)17-29(27)35-21-36-32)43-9-3-6-39-7-10-42-11-8-39/h4-5,15-17,21,23-25H,3,6-14,18-20H2,1-2H3,(H,38,40)(H,35,36,37)
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n/an/a 33n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146995
PNG
(CHEMBL3764589)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c(C)c3)c2cc1OCCOC |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,18:20:27:23.24.25|
Show InChI InChI=1S/C32H40N4O5/c1-20-10-24(4-5-26(20)36-31(37)32-16-21-11-22(17-32)13-23(12-21)18-32)35-30-25-14-28(40-8-6-38-2)29(41-9-7-39-3)15-27(25)33-19-34-30/h4-5,10,14-15,19,21-23H,6-9,11-13,16-18H2,1-3H3,(H,36,37)(H,33,34,35)
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n/an/a 66n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50146997
PNG
(CHEMBL3765789)
Show SMILES COc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCCN1CCOCC1 |TLB:27:18:25:21.22.23,THB:23:22:19:25.24.26,23:24:21.22.27:19,27:22:25:18.19.26,16:18:25:21.22.23|
Show InChI InChI=1S/C33H41N5O4/c1-40-29-17-28-27(16-30(29)42-9-3-6-38-7-10-41-11-8-38)31(35-21-34-28)36-25-4-2-5-26(15-25)37-32(39)33-18-22-12-23(19-33)14-24(13-22)20-33/h2,4-5,15-17,21-24H,3,6-14,18-20H2,1H3,(H,37,39)(H,34,35,36)
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n/an/a 159n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
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 832n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay

Eur J Med Chem 110: 195-203 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.045
BindingDB Entry DOI: 10.7270/Q25Q4XX6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%