BindingDB logo
myBDB logout

PubMed code 26882288

Compile data set for download or QSAR
Found 32 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))		BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in insect Sf9 cells using pEY (4:1)/biotinylated pEY as substrate after 30 mins...

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in insect Sf9 cells using pEY (4:1)/biotinylated pEY as substrate after 30 mins...

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 0.970n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of gefitinib-resistant human GST-tagged EGFR L858R/T790M double mutant using pEY (4:1)/biotinylated pEY as substrate after 30 mins by ELIS...

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 0.970n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of gefitinib-resistant human GST-tagged EGFR L858R/T790M double mutant using pEY (4:1)/biotinylated pEY as substrate after 30 mins by ELIS...

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532255
PNG
(CHEMBL4464614)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nc3ccccc3n1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C33H31N9O3/c1-4-29(43)35-21-8-7-9-23(18-21)41-30-24(31(44)42-27-11-6-5-10-25(27)37-33(41)42)20-34-32(38-30)36-26-13-12-22(19-28(26)45-3)40-16-14-39(2)15-17-40/h4-13,18-20H,1,14-17H2,2-3H3,(H,35,43)(H,34,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532251
PNG
(CHEMBL4454373)
Show SMILES COc1cc(ccc1Nc1ncc2C(=O)N3CCCCN=C3N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 |c:21|
Show InChI InChI=1S/C31H35N9O3/c1-4-27(41)34-21-8-7-9-23(18-21)40-28-24(29(42)39-13-6-5-12-32-31(39)40)20-33-30(36-28)35-25-11-10-22(19-26(25)43-3)38-16-14-37(2)15-17-38/h4,7-11,18-20H,1,5-6,12-17H2,2-3H3,(H,34,41)(H,33,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.880n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532253
PNG
(CHEMBL4459080)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.80n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532255
PNG
(CHEMBL4464614)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nc3ccccc3n1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C33H31N9O3/c1-4-29(43)35-21-8-7-9-23(18-21)41-30-24(31(44)42-27-11-6-5-10-25(27)37-33(41)42)20-34-32(38-30)36-26-13-12-22(19-28(26)45-3)40-16-14-39(2)15-17-40/h4-13,18-20H,1,14-17H2,2-3H3,(H,35,43)(H,34,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532254
PNG
(CHEMBL4438135)
Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1
Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.60n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532251
PNG
(CHEMBL4454373)
Show SMILES COc1cc(ccc1Nc1ncc2C(=O)N3CCCCN=C3N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 |c:21|
Show InChI InChI=1S/C31H35N9O3/c1-4-27(41)34-21-8-7-9-23(18-21)40-28-24(29(42)39-13-6-5-12-32-31(39)40)20-33-30(36-28)35-25-11-10-22(19-26(25)43-3)38-16-14-37(2)15-17-38/h4,7-11,18-20H,1,5-6,12-17H2,2-3H3,(H,34,41)(H,33,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 17n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532255
PNG
(CHEMBL4464614)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nc3ccccc3n1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C33H31N9O3/c1-4-29(43)35-21-8-7-9-23(18-21)41-30-24(31(44)42-27-11-6-5-10-25(27)37-33(41)42)20-34-32(38-30)36-26-13-12-22(19-28(26)45-3)40-16-14-39(2)15-17-40/h4-13,18-20H,1,14-17H2,2-3H3,(H,35,43)(H,34,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532256
PNG
(CHEMBL4446485)
Show SMILES CCOc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O3/c1-4-26(40)33-20-7-6-8-22(17-20)39-27-23(28(41)38-12-11-31-30(38)39)19-32-29(35-27)34-24-10-9-21(18-25(24)42-5-2)37-15-13-36(3)14-16-37/h4,6-12,17-19H,1,5,13-16H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532252
PNG
(CHEMBL4474541)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCOCC1
Show InChI InChI=1S/C28H26N8O4/c1-3-24(37)31-18-5-4-6-20(15-18)36-25-21(26(38)35-10-9-29-28(35)36)17-30-27(33-25)32-22-8-7-19(16-23(22)39-2)34-11-13-40-14-12-34/h3-10,15-17H,1,11-14H2,2H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 950n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532252
PNG
(CHEMBL4474541)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCOCC1
Show InChI InChI=1S/C28H26N8O4/c1-3-24(37)31-18-5-4-6-20(15-18)36-25-21(26(38)35-10-9-29-28(35)36)17-30-27(33-25)32-22-8-7-19(16-23(22)39-2)34-11-13-40-14-12-34/h3-10,15-17H,1,11-14H2,2H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532256
PNG
(CHEMBL4446485)
Show SMILES CCOc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O3/c1-4-26(40)33-20-7-6-8-22(17-20)39-27-23(28(41)38-12-11-31-30(38)39)19-32-29(35-27)34-24-10-9-21(18-25(24)42-5-2)37-15-13-36(3)14-16-37/h4,6-12,17-19H,1,5,13-16H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 420n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532254
PNG
(CHEMBL4438135)
Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1
Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.60n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532253
PNG
(CHEMBL4459080)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 140n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532254
PNG
(CHEMBL4438135)
Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1
Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 310n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532255
PNG
(CHEMBL4464614)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nc3ccccc3n1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C33H31N9O3/c1-4-29(43)35-21-8-7-9-23(18-21)41-30-24(31(44)42-27-11-6-5-10-25(27)37-33(41)42)20-34-32(38-30)36-26-13-12-22(19-28(26)45-3)40-16-14-39(2)15-17-40/h4-13,18-20H,1,14-17H2,2-3H3,(H,35,43)(H,34,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532253
PNG
(CHEMBL4459080)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.80n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532251
PNG
(CHEMBL4454373)
Show SMILES COc1cc(ccc1Nc1ncc2C(=O)N3CCCCN=C3N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 |c:21|
Show InChI InChI=1S/C31H35N9O3/c1-4-27(41)34-21-8-7-9-23(18-21)40-28-24(29(42)39-13-6-5-12-32-31(39)40)20-33-30(36-28)35-25-11-10-22(19-26(25)43-3)38-16-14-37(2)15-17-38/h4,7-11,18-20H,1,5-6,12-17H2,2-3H3,(H,34,41)(H,33,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.880n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532251
PNG
(CHEMBL4454373)
Show SMILES COc1cc(ccc1Nc1ncc2C(=O)N3CCCCN=C3N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 |c:21|
Show InChI InChI=1S/C31H35N9O3/c1-4-27(41)34-21-8-7-9-23(18-21)40-28-24(29(42)39-13-6-5-12-32-31(39)40)20-33-30(36-28)35-25-11-10-22(19-26(25)43-3)38-16-14-37(2)15-17-38/h4,7-11,18-20H,1,5-6,12-17H2,2-3H3,(H,34,41)(H,33,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 17n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/an/a 0.300n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532253
PNG
(CHEMBL4459080)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 140n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/an/a 0.300n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532256
PNG
(CHEMBL4446485)
Show SMILES CCOc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O3/c1-4-26(40)33-20-7-6-8-22(17-20)39-27-23(28(41)38-12-11-31-30(38)39)19-32-29(35-27)34-24-10-9-21(18-25(24)42-5-2)37-15-13-36(3)14-16-37/h4,6-12,17-19H,1,5,13-16H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532252
PNG
(CHEMBL4474541)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCOCC1
Show InChI InChI=1S/C28H26N8O4/c1-3-24(37)31-18-5-4-6-20(15-18)36-25-21(26(38)35-10-9-29-28(35)36)17-30-27(33-25)32-22-8-7-19(16-23(22)39-2)34-11-13-40-14-12-34/h3-10,15-17H,1,11-14H2,2H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 950n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532252
PNG
(CHEMBL4474541)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCOCC1
Show InChI InChI=1S/C28H26N8O4/c1-3-24(37)31-18-5-4-6-20(15-18)36-25-21(26(38)35-10-9-29-28(35)36)17-30-27(33-25)32-22-8-7-19(16-23(22)39-2)34-11-13-40-14-12-34/h3-10,15-17H,1,11-14H2,2H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.10n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532256
PNG
(CHEMBL4446485)
Show SMILES CCOc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O3/c1-4-26(40)33-20-7-6-8-22(17-20)39-27-23(28(41)38-12-11-31-30(38)39)19-32-29(35-27)34-24-10-9-21(18-25(24)42-5-2)37-15-13-36(3)14-16-37/h4,6-12,17-19H,1,5,13-16H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 420n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50532254
PNG
(CHEMBL4438135)
Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1
Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 310n/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay

J Med Chem 59: 6580-94 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00840
BindingDB Entry DOI: 10.7270/Q21G0QR9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%