Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50009716   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H24ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2-3,5-7,13-15H,1,4,8-12H2,(H,27,28,29)(H,30,31,33)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077244 (CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077238 (CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077235 (CHEMBL28418 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077242 (CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087067 (CHEMBL31326 | N-[4-(3-Bromo-phenylamino)-7-(3-diet...) Show SMILES CCN(CC)CCCSc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C24H28BrN5OS/c1-4-23(31)29-21-14-19-20(15-22(21)32-12-8-11-30(5-2)6-3)26-16-27-24(19)28-18-10-7-9-17(25)13-18/h4,7,9-10,13-16H,1,5-6,8,11-12H2,2-3H3,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087081 (CHEMBL31570 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C19H17ClFN5O3/c1-3-16(27)25-18-15(29-7-6-28-2)9-14-17(26-18)19(23-10-22-14)24-11-4-5-13(21)12(20)8-11/h3-5,8-10H,1,6-7H2,2H3,(H,22,23,24)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087069 (CHEMBL31656 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C23H24ClFN6O3/c1-2-20(32)29-22-19(34-9-3-6-31-7-10-33-11-8-31)13-18-21(30-22)23(27-14-26-18)28-15-4-5-17(25)16(24)12-15/h2,4-5,12-14H,1,3,6-11H2,(H,26,27,28)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087078 (CHEMBL27688 | N-[7-(3-Morpholin-4-yl-propoxy)-4-m-...) Show SMILES Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C25H29N5O3/c1-3-24(31)29-22-15-20-21(16-23(22)33-11-5-8-30-9-12-32-13-10-30)26-17-27-25(20)28-19-7-4-6-18(2)14-19/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087070 (CHEMBL32844 | N-{4-(3-Bromo-phenylamino)-7-[3-(4-m...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087074 (CHEMBL32079 | N-{4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES OCCCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H24ClFN4O4/c1-2-22(31)29-20-12-16-19(13-21(20)33-10-9-32-8-4-3-7-30)26-14-27-23(16)28-15-5-6-18(25)17(24)11-15/h2,5-6,11-14,30H,1,3-4,7-10H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087068 (CHEMBL31622 | N-{7-[3-(4-Methyl-piperazin-1-yl)-pr...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(C)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C26H32N6O2/c1-4-25(33)30-23-16-21-22(27-18-28-26(21)29-20-8-5-7-19(2)15-20)17-24(23)34-14-6-9-32-12-10-31(3)11-13-32/h4-5,7-8,15-18H,1,6,9-14H2,2-3H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087066 (CHEMBL281543 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H26ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2,6-7,13-15H,1,3-5,8-12H2,(H,27,28,29)(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077238 (CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087070 (CHEMBL32844 | N-{4-(3-Bromo-phenylamino)-7-[3-(4-m...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087080 (CHEMBL286343 | N-[4-(3-Bromo-phenylamino)-7-(3-imi...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCn4ccnc4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C23H21BrN6O2/c1-2-22(31)29-20-12-18-19(13-21(20)32-10-4-8-30-9-7-25-15-30)26-14-27-23(18)28-17-6-3-5-16(24)11-17/h2-3,5-7,9,11-15H,1,4,8,10H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077242 (CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087075 (CHEMBL31588 | N-[4-(3-Bromo-phenylamino)-7-(4-dime...) Show SMILES CN(C)CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50077242 (CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077244 (CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087071 (CHEMBL284326 | N-{4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3nc2NC(=O)C=C)CC1 Show InChI InChI=1S/C24H27ClFN7O2/c1-3-21(34)30-23-20(35-12-4-7-33-10-8-32(2)9-11-33)14-19-22(31-23)24(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)(H,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50077238 (CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087075 (CHEMBL31588 | N-[4-(3-Bromo-phenylamino)-7-(4-dime...) Show SMILES CN(C)CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087076 (CHEMBL27685 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50077235 (CHEMBL28418 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H24ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2-3,5-7,13-15H,1,4,8-12H2,(H,27,28,29)(H,30,31,33)/b5-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077235 (CHEMBL28418 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087068 (CHEMBL31622 | N-{7-[3-(4-Methyl-piperazin-1-yl)-pr...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4cccc(C)c4)c3cc2NC(=O)C=C)CC1 Show InChI InChI=1S/C26H32N6O2/c1-4-25(33)30-23-16-21-22(27-18-28-26(21)29-20-8-5-7-19(2)15-20)17-24(23)34-14-6-9-32-12-10-31(3)11-13-32/h4-5,7-8,15-18H,1,6,9-14H2,2-3H3,(H,30,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087072 (CHEMBL31630 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES CN(C(=O)C=C)c1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H26ClFN6O3/c1-3-21(33)31(2)24-20(35-10-4-7-32-8-11-34-12-9-32)14-19-22(30-24)23(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087080 (CHEMBL286343 | N-[4-(3-Bromo-phenylamino)-7-(3-imi...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCn4ccnc4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C23H21BrN6O2/c1-2-22(31)29-20-12-18-19(13-21(20)32-10-4-8-30-9-7-25-15-30)26-14-27-23(18)28-17-6-3-5-16(24)11-17/h2-3,5-7,9,11-15H,1,4,8,10H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50077244 (CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087078 (CHEMBL27688 | N-[7-(3-Morpholin-4-yl-propoxy)-4-m-...) Show SMILES Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C25H29N5O3/c1-3-24(31)29-22-15-20-21(16-23(22)33-11-5-8-30-9-12-32-13-10-30)26-17-27-25(20)28-19-7-4-6-18(2)14-19/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087083 (CHEMBL31369 | N-{4-[3-Bromo-4-(2-dimethylamino-eth...) Show SMILES CN(C)CCOc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087079 (CHEMBL283201 | N-[4-(3-Bromo-4-dimethylaminomethyl...) Show SMILES CN(C)Cc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C20H20BrN5O/c1-4-19(27)24-14-7-8-18-16(9-14)20(23-12-22-18)25-15-6-5-13(11-26(2)3)17(21)10-15/h4-10,12H,1,11H2,2-3H3,(H,24,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087072 (CHEMBL31630 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES CN(C(=O)C=C)c1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H26ClFN6O3/c1-3-21(33)31(2)24-20(35-10-4-7-32-8-11-34-12-9-32)14-19-22(30-24)23(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087082 (CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl Show InChI InChI=1S/C24H24ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2-3,5-7,13-15H,1,4,8-12H2,(H,27,28,29)(H,30,31,33)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087071 (CHEMBL284326 | N-{4-(3-Chloro-4-fluoro-phenylamino...) Show SMILES CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3nc2NC(=O)C=C)CC1 Show InChI InChI=1S/C24H27ClFN7O2/c1-3-21(34)30-23-20(35-12-4-7-33-10-8-32(2)9-11-33)14-19-22(31-23)24(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)(H,30,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair

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