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Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50038281   
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))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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PubMed
n/an/a 0.00603n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3567
PNG
(CHEMBL328106 | N-(4-bromophenyl)-6,7-dimethoxyquin...)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0724n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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n/an/a 0.120n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3557
PNG
(CHEMBL418967 | N-(3-bromophenyl)-6,7-dipropoxyquin...)
Show SMILES CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC
Show InChI InChI=1S/C20H22BrN3O2/c1-3-8-25-18-11-16-17(12-19(18)26-9-4-2)22-13-23-20(16)24-15-7-5-6-14(21)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23,24)
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n/an/a 0.174n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3302
PNG
(4-Anilinoquinazoline deriv. 53 | 4-[(3-bromophenyl...)
Show SMILES Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
Show InChI InChI=1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18)
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n/an/a 0.174n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3534
PNG
(6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazo...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
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n/an/a 0.245n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027266
PNG
(CHEMBL270696)
Show SMILES OCCNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C15H14BrN5O/c16-11-2-1-3-13(14(11)18-6-7-22)21-15-10-8-17-5-4-12(10)19-9-20-15/h1-5,8-9,18,22H,6-7H2,(H,19,20,21)
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n/an/a 0.245n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027338
PNG
(CHEMBL53426)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)nc23)c1
Show InChI InChI=1S/C17H15BrN8/c18-11-2-1-3-12(6-11)25-16-15-14(23-10-24-16)8-21-17(26-15)20-5-4-13-7-19-9-22-13/h1-3,6-10H,4-5H2,(H,19,22)(H,20,21,26)(H,23,24,25)
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n/an/a 0.251n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027274
PNG
(CHEMBL271122)
Show SMILES OC(=O)CCCNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C17H16BrN5O2/c18-12-3-1-4-14(16(12)20-7-2-5-15(24)25)23-17-11-9-19-8-6-13(11)21-10-22-17/h1,3-4,6,8-10,20H,2,5,7H2,(H,24,25)(H,21,22,23)
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n/an/a 0.282n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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PubMed
n/an/a 0.316n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027273
PNG
(CHEMBL272865)
Show SMILES Brc1cccc(Nc2ncnc3ccncc23)c1NCCCn1ccnc1
Show InChI InChI=1S/C19H18BrN7/c20-15-3-1-4-17(18(15)23-6-2-9-27-10-8-22-13-27)26-19-14-11-21-7-5-16(14)24-12-25-19/h1,3-5,7-8,10-13,23H,2,6,9H2,(H,24,25,26)
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n/an/a 0.513n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027310
PNG
(CHEMBL408399)
Show SMILES OC(=O)CCNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C16H14BrN5O2/c17-11-2-1-3-13(15(11)19-7-5-14(23)24)22-16-10-8-18-6-4-12(10)20-9-21-16/h1-4,6,8-9,19H,5,7H2,(H,23,24)(H,20,21,22)
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n/an/a 0.617n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3544
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,6,7-tr...)
Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C15H14BrN5/c1-18-14-7-13-11(6-12(14)17)15(20-8-19-13)21-10-4-2-3-9(16)5-10/h2-8,18H,17H2,1H3,(H,19,20,21)
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n/an/a 0.692n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3684
PNG
(4-[(3-Bromophenyl)amino]-6-(methylamino)pyrimido-[...)
Show SMILES CNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C13H11BrN6/c1-15-13-16-6-10-11(20-13)12(18-7-17-10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,15,16,20)(H,17,18,19)
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n/an/a 0.776n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3688
PNG
(4-[(3-Bromophenyl)amino]-6-[[2-(4-morpholino)ethyl...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24)
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n/an/a 0.813n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3533
PNG
(CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.891n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027318
PNG
(CHEMBL272187)
Show SMILES Brc1cccc(Nc2ncnc3ccncc23)c1NCCc1c[nH]cn1
Show InChI InChI=1S/C18H16BrN7/c19-14-2-1-3-16(17(14)22-7-4-12-8-21-10-23-12)26-18-13-9-20-6-5-15(13)24-11-25-18/h1-3,5-6,8-11,22H,4,7H2,(H,21,23)(H,24,25,26)
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n/an/a 0.912n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027267
PNG
(CHEMBL270695)
Show SMILES OCC(O)CNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C16H16BrN5O2/c17-12-2-1-3-14(15(12)19-6-10(24)8-23)22-16-11-7-18-5-4-13(11)20-9-21-16/h1-5,7,9-10,19,23-24H,6,8H2,(H,20,21,22)
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n/an/a 0.933n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3685
PNG
(4-[(3-Bromophenyl)amino]-6-(dimethylamino)pyrimido...)
Show SMILES CN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C14H13BrN6/c1-21(2)14-16-7-11-12(20-14)13(18-8-17-11)19-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,17,18,19)
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n/an/a 0.955n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027314
PNG
(CHEMBL427832)
Show SMILES OCCN(CCO)CCCNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C20H25BrN6O2/c21-16-3-1-4-18(19(16)23-6-2-8-27(9-11-28)10-12-29)26-20-15-13-22-7-5-17(15)24-14-25-20/h1,3-5,7,13-14,23,28-29H,2,6,8-12H2,(H,24,25,26)
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n/an/a 1.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027276
PNG
(CHEMBL270895)
Show SMILES OS(=O)(=O)CCNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C15H14BrN5O3S/c16-11-2-1-3-13(14(11)18-6-7-25(22,23)24)21-15-10-8-17-5-4-12(10)19-9-20-15/h1-5,8-9,18H,6-7H2,(H,19,20,21)(H,22,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027270
PNG
(CHEMBL405771)
Show SMILES OC(=O)CNc1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C15H12BrN5O2/c16-10-2-1-3-12(14(10)18-7-13(22)23)21-15-9-6-17-5-4-11(9)19-8-20-15/h1-6,8,18H,7H2,(H,22,23)(H,19,20,21)
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n/an/a 1.5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3683
PNG
(4-anilinopyrimido[5,4-d]pyrimidine deriv. 5b | 6-A...)
Show SMILES Nc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C12H9BrN6/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H2,14,15,19)(H,16,17,18)
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n/an/a 1.5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027309
PNG
(CHEMBL271334)
Show SMILES Brc1cccc(Nc2ncnc3ccncc23)c1NCCCN1CCOCC1
Show InChI InChI=1S/C20H23BrN6O/c21-16-3-1-4-18(19(16)23-6-2-8-27-9-11-28-12-10-27)26-20-15-13-22-7-5-17(15)24-14-25-20/h1,3-5,7,13-14,23H,2,6,8-12H2,(H,24,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027281
PNG
(CHEMBL271328)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCn4ccnc4)nc23)c1
Show InChI InChI=1S/C17H15BrN8/c18-12-2-1-3-13(8-12)24-16-15-14(22-10-23-16)9-21-17(25-15)20-5-7-26-6-4-19-11-26/h1-4,6,8-11H,5,7H2,(H,20,21,25)(H,22,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3696
PNG
(4-[(3-Methylphenyl)amino]-6-[[2-(4-morpholino)ethy...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H23N7O/c1-14-3-2-4-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-5-6-26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,20,21,25)(H,22,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3606
PNG
(4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]p...)
Show SMILES COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1
Show InChI InChI=1S/C21H18BrN5O/c1-28-17-7-5-14(6-8-17)11-23-20-10-18-19(12-24-20)25-13-26-21(18)27-16-4-2-3-15(22)9-16/h2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26,27)
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n/an/a 2.30n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027269
PNG
(CHEMBL408397)
Show SMILES CN(CCO)c1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C16H16BrN5O/c1-22(7-8-23)15-12(17)3-2-4-14(15)21-16-11-9-18-6-5-13(11)19-10-20-16/h2-6,9-10,23H,7-8H2,1H3,(H,19,20,21)
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n/an/a 2.60n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3605
PNG
(4-[(3-bromophenyl)amino]-6-methoxypyrido[3,4-d]pyr...)
Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C14H11BrN4O/c1-20-13-6-11-12(7-16-13)17-8-18-14(11)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 2.60n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3689
PNG
(4-[(3-Bromophenyl)amino]-6-[[3-(4-morpholino)propy...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027279
PNG
(CHEMBL416307)
Show SMILES Cc1cccc(Nc2ncnc3cnc(NCCc4c[nH]cn4)nc23)c1
Show InChI InChI=1S/C18H18N8/c1-12-3-2-4-13(7-12)25-17-16-15(23-11-24-17)9-21-18(26-16)20-6-5-14-8-19-10-22-14/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,20,21,26)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3620
PNG
(4-N-(3-bromophenyl)-6-N-methylpyrido[3,2-d]pyrimid...)
Show SMILES CNc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C14H12BrN5/c1-16-12-6-5-11-13(20-12)14(18-8-17-11)19-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,20)(H,17,18,19)
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n/an/a 3.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027282
PNG
(CHEMBL405398)
Show SMILES Brc1cccc(Nc2ncnc3ccncc23)c1NCCN1CCOCC1
Show InChI InChI=1S/C19H21BrN6O/c20-15-2-1-3-17(18(15)22-6-7-26-8-10-27-11-9-26)25-19-14-12-21-5-4-16(14)23-13-24-19/h1-5,12-13,22H,6-11H2,(H,23,24,25)
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n/an/a 3.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027311
PNG
(CHEMBL410635)
Show SMILES CN(CC(O)CO)c1c(Br)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C17H18BrN5O2/c1-23(8-11(25)9-24)16-13(18)3-2-4-15(16)22-17-12-7-19-6-5-14(12)20-10-21-17/h2-7,10-11,24-25H,8-9H2,1H3,(H,20,21,22)
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n/an/a 3.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3523
PNG
(4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,7-dia...)
Show SMILES Nc1ccc2c(Nc3cccc(c3)C(F)(F)F)ncnc2c1
Show InChI InChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-5-4-10(19)7-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22)
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n/an/a 3.30n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027337
PNG
(CHEMBL271408)
Show SMILES Cc1cccc(Nc2ncnc3ccncc23)c1NCCCn1ccnc1
Show InChI InChI=1S/C20H21N7/c1-15-4-2-5-18(19(15)23-7-3-10-27-11-9-22-14-27)26-20-16-12-21-8-6-17(16)24-13-25-20/h2,4-6,8-9,11-14,23H,3,7,10H2,1H3,(H,24,25,26)
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n/an/a 3.5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3546
PNG
(4-N-(3-bromophenyl)-7-methoxyquinazoline-4,6-diami...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C15H13BrN4O/c1-21-14-7-13-11(6-12(14)17)15(19-8-18-13)20-10-4-2-3-9(16)5-10/h2-8H,17H2,1H3,(H,18,19,20)
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n/an/a 3.80n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3531
PNG
(CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 3.80n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3686
PNG
(4-[(3-Bromophenyl)amino]-6-methoxypyrimido[5,4-d]-...)
Show SMILES COc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C13H10BrN5O/c1-20-13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
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n/an/a 3.80n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3695
PNG
(2-N,2-N-dimethyl-8-N-(3-methylphenyl)-[1,3]diazino...)
Show SMILES CN(C)c1ncc2ncnc(Nc3cccc(C)c3)c2n1
Show InChI InChI=1S/C15H16N6/c1-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21(2)3/h4-9H,1-3H3,(H,17,18,19)
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n/an/a 4.10n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3535
PNG
(4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diam...)
Show SMILES CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
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n/an/a 4.10n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3622
PNG
(4-[(3-bromophenyl)amino]-6-methoxypyrido[3,2-d]pyr...)
Show SMILES COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C14H11BrN4O/c1-20-12-6-5-11-13(19-12)14(17-8-16-11)18-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17,18)
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n/an/a 4.40n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3694
PNG
(2-N-methyl-8-N-(3-methylphenyl)-[1,3]diazino[5,4-d...)
Show SMILES CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
Show InChI InChI=1S/C14H14N6/c1-9-4-3-5-10(6-9)19-13-12-11(17-8-18-13)7-16-14(15-2)20-12/h3-8H,1-2H3,(H,15,16,20)(H,17,18,19)
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n/an/a 4.40n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3538
PNG
(4-[(3-bromophenyl)amino]quinazolin-7-ol | CHEMBL93...)
Show SMILES Oc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C14H10BrN3O/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19)7-13(12)16-8-17-14/h1-8,19H,(H,16,17,18)
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n/an/a 4.80n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027280
PNG
(CHEMBL271532)
Show SMILES CN1CCN(CCCNc2c(Br)cccc2Nc2ncnc3ccncc23)CC1
Show InChI InChI=1S/C21H26BrN7/c1-28-10-12-29(13-11-28)9-3-7-24-20-17(22)4-2-5-19(20)27-21-16-14-23-8-6-18(16)25-15-26-21/h2,4-6,8,14-15,24H,3,7,9-13H2,1H3,(H,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027330
PNG
(CHEMBL272895)
Show SMILES Brc1cccc(Nc2ncnc3ccncc23)c1NCCCCN1CCOCC1
Show InChI InChI=1S/C21H25BrN6O/c22-17-4-3-5-19(27-21-16-14-23-8-6-18(16)25-15-26-21)20(17)24-7-1-2-9-28-10-12-29-13-11-28/h3-6,8,14-15,24H,1-2,7,9-13H2,(H,25,26,27)
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n/an/a 5.5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027334
PNG
(CHEMBL271587)
Show SMILES CN(C)CCCCNc1c(C)cccc1Nc1ncnc2ccncc12
Show InChI InChI=1S/C20H26N6/c1-15-7-6-8-18(19(15)22-10-4-5-12-26(2)3)25-20-16-13-21-11-9-17(16)23-14-24-20/h6-9,11,13-14,22H,4-5,10,12H2,1-3H3,(H,23,24,25)
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n/an/a 5.5n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50027335
PNG
(CHEMBL410253)
Show SMILES CN1CCN(CCCNc2c(C)cccc2Nc2ncnc3ccncc23)CC1
Show InChI InChI=1S/C22H29N7/c1-17-5-3-6-20(27-22-18-15-23-9-7-19(18)25-16-26-22)21(17)24-8-4-10-29-13-11-28(2)12-14-29/h3,5-7,9,15-16,24H,4,8,10-14H2,1-2H3,(H,25,26,27)
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n/an/a 5.60n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3547
PNG
(4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamin...)
Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl
Show InChI InChI=1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
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n/an/a 6.60n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3540
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diam...)
Show SMILES CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
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n/an/a 7.10n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
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