Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50047690   

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))	BDBM50183383 (CHEMBL3818547) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H15ClFN5O4/c1-29-16-6-13-10(5-14(16)25-18(27)15-7-30-19(28)26-15)17(23-8-22-13)24-9-2-3-12(21)11(20)4-9/h2-6,8,15H,7H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183406 (CHEMBL3818062) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C20H17ClFN5O4/c1-9-17(27-20(29)31-9)19(28)26-15-6-11-14(7-16(15)30-2)23-8-24-18(11)25-10-3-4-13(22)12(21)5-10/h3-9,17H,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t9-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183388 (CHEMBL3818015) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H16BrN5O4/c1-28-16-7-13-12(6-14(16)24-18(26)15-8-29-19(27)25-15)17(22-9-21-13)23-11-4-2-3-10(20)5-11/h2-7,9,15H,8H2,1H3,(H,24,26)(H,25,27)(H,21,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183388 (CHEMBL3818015) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H16BrN5O4/c1-28-16-7-13-12(6-14(16)24-18(26)15-8-29-19(27)25-15)17(22-9-21-13)23-11-4-2-3-10(20)5-11/h2-7,9,15H,8H2,1H3,(H,24,26)(H,25,27)(H,21,22,23)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183391 (CHEMBL3818563) Show SMILES CCOc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C22H23N5O4/c1-3-30-19-10-16-15(9-17(19)26-21(28)18-11-31-22(29)27-18)20(24-12-23-16)25-13(2)14-7-5-4-6-8-14/h4-10,12-13,18H,3,11H2,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183395 (CHEMBL3818289) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O5/c26-17-10-15(2-3-18(17)27)30-23-16-11-20(31-24(34)21-13-38-25(35)32-21)22(12-19(16)28-14-29-23)37-7-1-4-33-5-8-36-9-6-33/h2-3,10-12,14,21H,1,4-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183383 (CHEMBL3818547) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H15ClFN5O4/c1-29-16-6-13-10(5-14(16)25-18(27)15-7-30-19(28)26-15)17(23-8-22-13)24-9-2-3-12(21)11(20)4-9/h2-6,8,15H,7H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183400 (CHEMBL3818364) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183387 (CHEMBL3818115) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183406 (CHEMBL3818062) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C20H17ClFN5O4/c1-9-17(27-20(29)31-9)19(28)26-15-6-11-14(7-16(15)30-2)23-8-24-18(11)25-10-3-4-13(22)12(21)5-10/h3-9,17H,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t9-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183407 (CHEMBL3819553) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C28H25ClFN5O5/c1-3-38-24-12-21-19(11-22(24)34-27(36)25-15(2)40-28(37)35-25)26(32-14-31-21)33-18-7-8-23(20(29)10-18)39-13-16-5-4-6-17(30)9-16/h4-12,14-15,25H,3,13H2,1-2H3,(H,34,36)(H,35,37)(H,31,32,33)/t15-,25+/m1/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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183395 (CHEMBL3818289) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O5/c26-17-10-15(2-3-18(17)27)30-23-16-11-20(31-24(34)21-13-38-25(35)32-21)22(12-19(16)28-14-29-23)37-7-1-4-33-5-8-36-9-6-33/h2-3,10-12,14,21H,1,4-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183391 (CHEMBL3818563) Show SMILES CCOc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C22H23N5O4/c1-3-30-19-10-16-15(9-17(19)26-21(28)18-11-31-22(29)27-18)20(24-12-23-16)25-13(2)14-7-5-4-6-8-14/h4-10,12-13,18H,3,11H2,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t13-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183400 (CHEMBL3818364) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/m1/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 recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183387 (CHEMBL3818115) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183394 (CHEMBL3819120) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCN4CCCCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O4/c26-17-10-15(4-5-18(17)27)30-23-16-11-20(31-24(34)21-13-37-25(35)32-21)22(12-19(16)28-14-29-23)36-9-8-33-6-2-1-3-7-33/h4-5,10-12,14,21H,1-3,6-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183407 (CHEMBL3819553) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C28H25ClFN5O5/c1-3-38-24-12-21-19(11-22(24)34-27(36)25-15(2)40-28(37)35-25)26(32-14-31-21)33-18-7-8-23(20(29)10-18)39-13-16-5-4-6-17(30)9-16/h4-12,14-15,25H,3,13H2,1-2H3,(H,34,36)(H,35,37)(H,31,32,33)/t15-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183383 (CHEMBL3818547) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H15ClFN5O4/c1-29-16-6-13-10(5-14(16)25-18(27)15-7-30-19(28)26-15)17(23-8-22-13)24-9-2-3-12(21)11(20)4-9/h2-6,8,15H,7H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183394 (CHEMBL3819120) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCN4CCCCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O4/c26-17-10-15(4-5-18(17)27)30-23-16-11-20(31-24(34)21-13-37-25(35)32-21)22(12-19(16)28-14-29-23)36-9-8-33-6-2-1-3-7-33/h4-5,10-12,14,21H,1-3,6-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183393 (CHEMBL3818970) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C24H24ClN5O5/c1-2-33-21-9-17-15(8-18(21)29-23(31)19-11-35-24(32)30-19)22(27-12-26-17)28-14-5-6-20(16(25)7-14)34-10-13-3-4-13/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183406 (CHEMBL3818062) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C20H17ClFN5O4/c1-9-17(27-20(29)31-9)19(28)26-15-6-11-14(7-16(15)30-2)23-8-24-18(11)25-10-3-4-13(22)12(21)5-10/h3-9,17H,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t9-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183393 (CHEMBL3818970) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C24H24ClN5O5/c1-2-33-21-9-17-15(8-18(21)29-23(31)19-11-35-24(32)30-19)22(27-12-26-17)28-14-5-6-20(16(25)7-14)34-10-13-3-4-13/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183387 (CHEMBL3818115) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/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	53	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183395 (CHEMBL3818289) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O5/c26-17-10-15(2-3-18(17)27)30-23-16-11-20(31-24(34)21-13-38-25(35)32-21)22(12-19(16)28-14-29-23)37-7-1-4-33-5-8-36-9-6-33/h2-3,10-12,14,21H,1,4-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					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 human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183393 (CHEMBL3818970) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C24H24ClN5O5/c1-2-33-21-9-17-15(8-18(21)29-23(31)19-11-35-24(32)30-19)22(27-12-26-17)28-14-5-6-20(16(25)7-14)34-10-13-3-4-13/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183400 (CHEMBL3818364) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 |r| Show InChI InChI=1S/C27H23ClFN5O5/c1-2-37-24-11-20-18(10-21(24)33-26(35)22-13-39-27(36)34-22)25(31-14-30-20)32-17-6-7-23(19(28)9-17)38-12-15-4-3-5-16(29)8-15/h3-11,14,22H,2,12-13H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183388 (CHEMBL3818015) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C19H16BrN5O4/c1-28-16-7-13-12(6-14(16)24-18(26)15-8-29-19(27)25-15)17(22-9-21-13)23-11-4-2-3-10(20)5-11/h2-7,9,15H,8H2,1H3,(H,24,26)(H,25,27)(H,21,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					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 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	173	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183407 (CHEMBL3819553) Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C |r| Show InChI InChI=1S/C28H25ClFN5O5/c1-3-38-24-12-21-19(11-22(24)34-27(36)25-15(2)40-28(37)35-25)26(32-14-31-21)33-18-7-8-23(20(29)10-18)39-13-16-5-4-6-17(30)9-16/h4-12,14-15,25H,3,13H2,1-2H3,(H,34,36)(H,35,37)(H,31,32,33)/t15-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183394 (CHEMBL3819120) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCN4CCCCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H26ClFN6O4/c26-17-10-15(4-5-18(17)27)30-23-16-11-20(31-24(34)21-13-37-25(35)32-21)22(12-19(16)28-14-29-23)36-9-8-33-6-2-1-3-7-33/h4-5,10-12,14,21H,1-3,6-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183391 (CHEMBL3818563) Show SMILES CCOc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1NC(=O)[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C22H23N5O4/c1-3-30-19-10-16-15(9-17(19)26-21(28)18-11-31-22(29)27-18)20(24-12-23-16)25-13(2)14-7-5-4-6-8-14/h4-10,12-13,18H,3,11H2,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay				Bioorg Med Chem 24: 3359-70 (2016) Article DOI: 10.1016/j.bmc.2016.04.046 BindingDB Entry DOI: 10.7270/Q2H133ZJ
					More data for this Ligand-Target Pair