Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50044863   

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))	BDBM50033373 (CHEMBL3357641) Show SMILES CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5-/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033374 (CHEMBL3357637) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033376 (CHEMBL3357634) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H20ClF2N5O2/c1-29(2)7-6-16(24)21(30)28-18-9-13-17(10-19(18)31-3)25-11-26-20(13)27-12-4-5-15(23)14(22)8-12/h4-6,8-11H,7H2,1-3H3,(H,28,30)(H,25,26,27)/b16-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033384 (CHEMBL3357639) Show SMILES F\C(=C/CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033375 (CHEMBL3357635) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033394 (CHEMBL3357644) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033381 (CHEMBL3357642) Show SMILES CN(C)C\C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5+/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((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/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033396 (CHEMBL3357636) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN1CCCCC1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033395 (CHEMBL3357638) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033382 (CHEMBL3357640) Show SMILES F\C(=C\CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3+/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033391 (CHEMBL3352869) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN(C)C Show InChI InChI=1S/C28H26ClF2N5O3/c1-36(2)10-9-22(31)28(37)35-24-13-20-23(14-26(24)38-3)32-16-33-27(20)34-19-7-8-25(21(29)12-19)39-15-17-5-4-6-18(30)11-17/h4-9,11-14,16H,10,15H2,1-3H3,(H,35,37)(H,32,33,34)/b22-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033374 (CHEMBL3357637) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033377 (CHEMBL3357649) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H26ClF2N5O3/c1-36(2)10-9-22(31)28(37)35-24-13-20-23(14-26(24)38-3)32-16-33-27(20)34-19-7-8-25(21(29)12-19)39-15-17-5-4-6-18(30)11-17/h4-9,11-14,16H,10,15H2,1-3H3,(H,35,37)(H,32,33,34)/b22-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033377 (CHEMBL3357649) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H26ClF2N5O3/c1-36(2)10-9-22(31)28(37)35-24-13-20-23(14-26(24)38-3)32-16-33-27(20)34-19-7-8-25(21(29)12-19)39-15-17-5-4-6-18(30)11-17/h4-9,11-14,16H,10,15H2,1-3H3,(H,35,37)(H,32,33,34)/b22-9-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033393 (CHEMBL3357646) Show SMILES F\C(=C\CN1CCCCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C27H28ClF2N5O3/c28-20-12-17(4-5-21(20)29)33-26-19-13-24(34-27(36)22(30)6-10-35-8-2-1-3-9-35)25(14-23(19)31-16-32-26)38-18-7-11-37-15-18/h4-6,12-14,16,18H,1-3,7-11,15H2,(H,34,36)(H,31,32,33)/b22-6+/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033379 (CHEMBL3357645) Show SMILES F\C(=C/CN1CCCCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C27H28ClF2N5O3/c28-20-12-17(4-5-21(20)29)33-26-19-13-24(34-27(36)22(30)6-10-35-8-2-1-3-9-35)25(14-23(19)31-16-32-26)38-18-7-11-37-15-18/h4-6,12-14,16,18H,1-3,7-11,15H2,(H,34,36)(H,31,32,33)/b22-6-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033386 (CHEMBL3357654) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H21BrFN5O2/c1-28(2)8-7-16(23)21(29)27-18-10-15-17(11-19(18)30-3)24-12-25-20(15)26-14-6-4-5-13(22)9-14/h4-7,9-12H,8H2,1-3H3,(H,27,29)(H,24,25,26)/b16-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033388 (CHEMBL3357652) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C26H29ClFN5O3/c1-4-35-24-13-21-18(12-22(24)32-26(34)20(28)9-10-33(2)3)25(30-15-29-21)31-17-7-8-23(19(27)11-17)36-14-16-5-6-16/h7-9,11-13,15-16H,4-6,10,14H2,1-3H3,(H,32,34)(H,29,30,31)/b20-9-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033388 (CHEMBL3357652) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C26H29ClFN5O3/c1-4-35-24-13-21-18(12-22(24)32-26(34)20(28)9-10-33(2)3)25(30-15-29-21)31-17-7-8-23(19(27)11-17)36-14-16-5-6-16/h7-9,11-13,15-16H,4-6,10,14H2,1-3H3,(H,32,34)(H,29,30,31)/b20-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033374 (CHEMBL3357637) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033390 (CHEMBL3357650) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-5-38-26-14-23-20(13-24(26)35-28(37)22(30)10-11-36(3)4)27(33-16-32-23)34-18-7-9-25(21(29)12-18)39-19-8-6-17(2)31-15-19/h6-10,12-16H,5,11H2,1-4H3,(H,35,37)(H,32,33,34)/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033385 (CHEMBL3357655) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C(\F)=C/CN(C)C Show InChI InChI=1S/C21H21BrFN5O2/c1-28(2)8-7-16(23)21(29)27-18-10-15-17(11-19(18)30-3)24-12-25-20(15)26-14-6-4-5-13(22)9-14/h4-7,9-12H,8H2,1-3H3,(H,27,29)(H,24,25,26)/b16-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5-/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033376 (CHEMBL3357634) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H20ClF2N5O2/c1-29(2)7-6-16(24)21(30)28-18-9-13-17(10-19(18)31-3)25-11-26-20(13)27-12-4-5-15(23)14(22)8-12/h4-6,8-11H,7H2,1-3H3,(H,28,30)(H,25,26,27)/b16-6-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033390 (CHEMBL3357650) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-5-38-26-14-23-20(13-24(26)35-28(37)22(30)10-11-36(3)4)27(33-16-32-23)34-18-7-9-25(21(29)12-18)39-19-8-6-17(2)31-15-19/h6-10,12-16H,5,11H2,1-4H3,(H,35,37)(H,32,33,34)/b22-10-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033386 (CHEMBL3357654) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H21BrFN5O2/c1-28(2)8-7-16(23)21(29)27-18-10-15-17(11-19(18)30-3)24-12-25-20(15)26-14-6-4-5-13(22)9-14/h4-7,9-12H,8H2,1-3H3,(H,27,29)(H,24,25,26)/b16-7-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033389 (CHEMBL3357651) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN(C)C Show InChI InChI=1S/C28H28ClFN6O3/c1-5-38-26-14-23-20(13-24(26)35-28(37)22(30)10-11-36(3)4)27(33-16-32-23)34-18-7-9-25(21(29)12-18)39-19-8-6-17(2)31-15-19/h6-10,12-16H,5,11H2,1-4H3,(H,35,37)(H,32,33,34)/b22-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033387 (CHEMBL3357653) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN(C)C Show InChI InChI=1S/C26H29ClFN5O3/c1-4-35-24-13-21-18(12-22(24)32-26(34)20(28)9-10-33(2)3)25(30-15-29-21)31-17-7-8-23(19(27)11-17)36-14-16-5-6-16/h7-9,11-13,15-16H,4-6,10,14H2,1-3H3,(H,32,34)(H,29,30,31)/b20-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033378 (CHEMBL3357647) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1 Show InChI InChI=1S/C31H32ClFN6O3/c1-3-41-29-17-26-23(16-27(29)38-31(40)25(33)11-14-39-12-5-4-6-13-39)30(36-19-35-26)37-21-8-10-28(24(32)15-21)42-22-9-7-20(2)34-18-22/h7-11,15-19H,3-6,12-14H2,1-2H3,(H,38,40)(H,35,36,37)/b25-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033375 (CHEMBL3357635) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033379 (CHEMBL3357645) Show SMILES F\C(=C/CN1CCCCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C27H28ClF2N5O3/c28-20-12-17(4-5-21(20)29)33-26-19-13-24(34-27(36)22(30)6-10-35-8-2-1-3-9-35)25(14-23(19)31-16-32-26)38-18-7-11-37-15-18/h4-6,12-14,16,18H,1-3,7-11,15H2,(H,34,36)(H,31,32,33)/b22-6-/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50322823 ((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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033384 (CHEMBL3357639) Show SMILES F\C(=C/CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3-/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50033376 (CHEMBL3357634) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H20ClF2N5O2/c1-29(2)7-6-16(24)21(30)28-18-9-13-17(10-19(18)31-3)25-11-26-20(13)27-12-4-5-15(23)14(22)8-12/h4-6,8-11H,7H2,1-3H3,(H,28,30)(H,25,26,27)/b16-6-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER4 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033381 (CHEMBL3357642) Show SMILES CN(C)C\C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5+/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033378 (CHEMBL3357647) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1 Show InChI InChI=1S/C31H32ClFN6O3/c1-3-41-29-17-26-23(16-27(29)38-31(40)25(33)11-14-39-12-5-4-6-13-39)30(36-19-35-26)37-21-8-10-28(24(32)15-21)42-22-9-7-20(2)34-18-22/h7-11,15-19H,3-6,12-14H2,1-2H3,(H,38,40)(H,35,36,37)/b25-11-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033392 (CHEMBL3357648) Show SMILES CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN1CCCCC1 Show InChI InChI=1S/C31H32ClFN6O3/c1-3-41-29-17-26-23(16-27(29)38-31(40)25(33)11-14-39-12-5-4-6-13-39)30(36-19-35-26)37-21-8-10-28(24(32)15-21)42-22-9-7-20(2)34-18-22/h7-11,15-19H,3-6,12-14H2,1-2H3,(H,38,40)(H,35,36,37)/b25-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033382 (CHEMBL3357640) Show SMILES F\C(=C\CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3+/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033376 (CHEMBL3357634) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C Show InChI InChI=1S/C21H20ClF2N5O2/c1-29(2)7-6-16(24)21(30)28-18-9-13-17(10-19(18)31-3)25-11-26-20(13)27-12-4-5-15(23)14(22)8-12/h4-6,8-11H,7H2,1-3H3,(H,28,30)(H,25,26,27)/b16-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	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 MMDB PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033381 (CHEMBL3357642) Show SMILES CN(C)C\C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5+/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5-/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033375 (CHEMBL3357635) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1 Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033380 (CHEMBL3357643) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1 Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033384 (CHEMBL3357639) Show SMILES F\C(=C/CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3-/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
					More data for this Ligand-Target Pair

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