Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043638   

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))	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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443994 (CHEMBL3092313) Show SMILES CN(C)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H28ClFN6O3/c1-32(2)8-3-7-27-24(33)31-21-11-17-20(12-22(21)35-16-6-9-34-13-16)28-14-29-23(17)30-15-4-5-19(26)18(25)10-15/h4-5,10-12,14,16H,3,6-9,13H2,1-2H3,(H2,27,31,33)(H,28,29,30)/t16-/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50444004 (CHEMBL3092322) Show SMILES OCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H21ClFN5O4/c22-15-7-12(1-2-16(15)23)27-20-14-8-18(28-21(30)24-4-5-29)19(9-17(14)25-11-26-20)32-13-3-6-31-10-13/h1-2,7-9,11,13,29H,3-6,10H2,(H2,24,28,30)(H,25,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443993 (CHEMBL3092314) Show SMILES CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H32ClFN6O3/c1-3-34(4-2)10-5-9-29-26(35)33-23-13-19-22(14-24(23)37-18-8-11-36-15-18)30-16-31-25(19)32-17-6-7-21(28)20(27)12-17/h6-7,12-14,16,18H,3-5,8-11,15H2,1-2H3,(H2,29,33,35)(H,30,31,32)/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	32	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50444002 (CHEMBL3092324) Show SMILES CS(=O)(=O)CCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C22H23ClFN5O5S/c1-35(31,32)7-5-25-22(30)29-19-9-15-18(10-20(19)34-14-4-6-33-11-14)26-12-27-21(15)28-13-2-3-17(24)16(23)8-13/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,29,30)(H,26,27,28)/t14-/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	41	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443999 (CHEMBL3092308) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCC4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H28ClFN6O3/c26-19-11-16(3-4-20(19)27)31-24-18-12-22(32-25(34)28-6-9-33-7-1-2-8-33)23(13-21(18)29-15-30-24)36-17-5-10-35-14-17/h3-4,11-13,15,17H,1-2,5-10,14H2,(H2,28,32,34)(H,29,30,31)/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	68	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443997 (CHEMBL3092310) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCOCC4)cc23)cc1Cl |r| Show InChI InChI=1S/C25H28ClFN6O4/c26-19-11-16(1-2-20(19)27)31-24-18-12-22(32-25(34)28-4-5-33-6-9-35-10-7-33)23(13-21(18)29-15-30-24)37-17-3-8-36-14-17/h1-2,11-13,15,17H,3-10,14H2,(H2,28,32,34)(H,29,30,31)/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	82	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443998 (CHEMBL3092309) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCCC4)cc23)cc1Cl |r| Show InChI InChI=1S/C26H30ClFN6O3/c27-20-12-17(4-5-21(20)28)32-25-19-13-23(33-26(35)29-7-10-34-8-2-1-3-9-34)24(14-22(19)30-16-31-25)37-18-6-11-36-15-18/h4-5,12-14,16,18H,1-3,6-11,15H2,(H2,29,33,35)(H,30,31,32)/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	165	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443996 (CHEMBL3092311) Show SMILES COCCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C23H25ClFN5O4/c1-32-7-2-6-26-23(31)30-20-10-16-19(11-21(20)34-15-5-8-33-12-15)27-13-28-22(16)29-14-3-4-18(25)17(24)9-14/h3-4,9-11,13,15H,2,5-8,12H2,1H3,(H2,26,30,31)(H,27,28,29)/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	197	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443978 (CHEMBL3092304) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCC#C)cc23)cc1Cl |r| Show InChI InChI=1S/C22H19ClFN5O3/c1-2-6-25-22(30)29-19-9-15-18(10-20(19)32-14-5-7-31-11-14)26-12-27-21(15)28-13-3-4-17(24)16(23)8-13/h1,3-4,8-10,12,14H,5-7,11H2,(H2,25,29,30)(H,26,27,28)/t14-/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	232	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443981 (CHEMBL3092301) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)N4CCC(CC4)N4CCCC4)cc23)cc1Cl |r| Show InChI InChI=1S/C28H32ClFN6O3/c29-22-13-18(3-4-23(22)30)33-27-21-14-25(26(15-24(21)31-17-32-27)39-20-7-12-38-16-20)34-28(37)36-10-5-19(6-11-36)35-8-1-2-9-35/h3-4,13-15,17,19-20H,1-2,5-12,16H2,(H,34,37)(H,31,32,33)/t20-/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	265	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443992 (CHEMBL3092315) Show SMILES CN(C)CCN(C)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H28ClFN6O3/c1-31(2)7-8-32(3)24(33)30-21-11-17-20(12-22(21)35-16-6-9-34-13-16)27-14-28-23(17)29-15-4-5-19(26)18(25)10-15/h4-5,10-12,14,16H,6-9,13H2,1-3H3,(H,30,33)(H,27,28,29)/t16-/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	281	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443980 (CHEMBL3092302) Show SMILES OCCC1CCN(CC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H29ClFN5O4/c27-20-11-17(1-2-21(20)28)31-25-19-12-23(32-26(35)33-7-3-16(4-8-33)5-9-34)24(13-22(19)29-15-30-25)37-18-6-10-36-14-18/h1-2,11-13,15-16,18,34H,3-10,14H2,(H,32,35)(H,29,30,31)/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	304	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443979 (CHEMBL3092303) Show SMILES OCCN1CCN(CC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C25H28ClFN6O4/c26-19-11-16(1-2-20(19)27)30-24-18-12-22(31-25(35)33-6-4-32(5-7-33)8-9-34)23(13-21(18)28-15-29-24)37-17-3-10-36-14-17/h1-2,11-13,15,17,34H,3-10,14H2,(H,31,35)(H,28,29,30)/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	331	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50444000 (CHEMBL3092307) Show SMILES CCN(CC)CCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C25H30ClFN6O3/c1-3-33(4-2)9-8-28-25(34)32-22-12-18-21(13-23(22)36-17-7-10-35-14-17)29-15-30-24(18)31-16-5-6-20(27)19(26)11-16/h5-6,11-13,15,17H,3-4,7-10,14H2,1-2H3,(H2,28,32,34)(H,29,30,31)/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	365	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443977 (CHEMBL3092305) Show SMILES COC(=O)\C=C\CNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H23ClFN5O5/c1-34-22(32)3-2-7-27-24(33)31-20-10-16-19(11-21(20)36-15-6-8-35-12-15)28-13-29-23(16)30-14-4-5-18(26)17(25)9-14/h2-5,9-11,13,15H,6-8,12H2,1H3,(H2,27,31,33)(H,28,29,30)/b3-2+/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	404	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443990 (CHEMBL3092317) Show SMILES CN(C)CCCN(C)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C25H30ClFN6O3/c1-32(2)8-4-9-33(3)25(34)31-22-12-18-21(13-23(22)36-17-7-10-35-14-17)28-15-29-24(18)30-16-5-6-20(27)19(26)11-16/h5-6,11-13,15,17H,4,7-10,14H2,1-3H3,(H,31,34)(H,28,29,30)/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	464	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443986 (CHEMBL3092321) Show SMILES CN1CCN(CC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H26ClFN6O3/c1-31-5-7-32(8-6-31)24(33)30-21-11-17-20(12-22(21)35-16-4-9-34-13-16)27-14-28-23(17)29-15-2-3-19(26)18(25)10-15/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,30,33)(H,27,28,29)/t16-/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	464	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50444003 (CHEMBL3092323) Show SMILES COCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C22H23ClFN5O4/c1-31-7-5-25-22(30)29-19-9-15-18(10-20(19)33-14-4-6-32-11-14)26-12-27-21(15)28-13-2-3-17(24)16(23)8-13/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,29,30)(H,26,27,28)/t14-/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	479	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443991 (CHEMBL3092316) Show SMILES CCN(CC)CCN(C)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H32ClFN6O3/c1-4-34(5-2)10-9-33(3)26(35)32-23-13-19-22(14-24(23)37-18-8-11-36-15-18)29-16-30-25(19)31-17-6-7-21(28)20(27)12-17/h6-7,12-14,16,18H,4-5,8-11,15H2,1-3H3,(H,32,35)(H,29,30,31)/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	505	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443989 (CHEMBL3092318) Show SMILES OC1CN(C1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C22H21ClFN5O4/c23-16-5-12(1-2-17(16)24)27-21-15-6-19(28-22(31)29-8-13(30)9-29)20(7-18(15)25-11-26-21)33-14-3-4-32-10-14/h1-2,5-7,11,13-14,30H,3-4,8-10H2,(H,28,31)(H,25,26,27)/t14-/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	543	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443995 (CHEMBL3092312) Show SMILES COC(CCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)OC |r| Show InChI InChI=1S/C24H27ClFN5O5/c1-33-22(34-2)5-7-27-24(32)31-20-10-16-19(11-21(20)36-15-6-8-35-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H2,27,31,32)(H,28,29,30)/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	544	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50444001 (CHEMBL3092306) Show SMILES CN(C)CCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C23H26ClFN6O3/c1-31(2)7-6-26-23(32)30-20-10-16-19(11-21(20)34-15-5-8-33-12-15)27-13-28-22(16)29-14-3-4-18(25)17(24)9-14/h3-4,9-11,13,15H,5-8,12H2,1-2H3,(H2,26,30,32)(H,27,28,29)/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	635	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443985 (CHEMBL3092297) Show SMILES FC1CCN(CC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H24ClF2N5O3/c25-18-9-15(1-2-19(18)27)30-23-17-10-21(31-24(33)32-6-3-14(26)4-7-32)22(11-20(17)28-13-29-23)35-16-5-8-34-12-16/h1-2,9-11,13-14,16H,3-8,12H2,(H,31,33)(H,28,29,30)/t16-/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	699	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443984 (CHEMBL3092298) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)N4CCC(F)(F)CC4)cc23)cc1Cl |r| Show InChI InChI=1S/C24H23ClF3N5O3/c25-17-9-14(1-2-18(17)26)31-22-16-10-20(32-23(34)33-6-4-24(27,28)5-7-33)21(11-19(16)29-13-30-22)36-15-3-8-35-12-15/h1-2,9-11,13,15H,3-8,12H2,(H,32,34)(H,29,30,31)/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	859	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443983 (CHEMBL3092299) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)N4CCCC(F)(F)C4)cc23)cc1Cl |r| Show InChI InChI=1S/C24H23ClF3N5O3/c25-17-8-14(2-3-18(17)26)31-22-16-9-20(32-23(34)33-6-1-5-24(27,28)12-33)21(10-19(16)29-13-30-22)36-15-4-7-35-11-15/h2-3,8-10,13,15H,1,4-7,11-12H2,(H,32,34)(H,29,30,31)/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	884	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443988 (CHEMBL3092319) Show SMILES FC1CN(C1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C22H20ClF2N5O3/c23-16-5-13(1-2-17(16)25)28-21-15-6-19(29-22(31)30-8-12(24)9-30)20(7-18(15)26-11-27-21)33-14-3-4-32-10-14/h1-2,5-7,11-12,14H,3-4,8-10H2,(H,29,31)(H,26,27,28)/t14-/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	967	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443987 (CHEMBL3092320) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)N4CCC(F)(F)C4)cc23)cc1Cl |r| Show InChI InChI=1S/C23H21ClF3N5O3/c24-16-7-13(1-2-17(16)25)30-21-15-8-19(31-22(33)32-5-4-23(26,27)11-32)20(9-18(15)28-12-29-21)35-14-3-6-34-10-14/h1-2,7-9,12,14H,3-6,10-11H2,(H,31,33)(H,28,29,30)/t14-/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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50443982 (CHEMBL3092300) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)N4CCC5(CC4)OCCO5)cc23)cc1Cl |r| Show InChI InChI=1S/C26H27ClFN5O5/c27-19-11-16(1-2-20(19)28)31-24-18-12-22(23(13-21(18)29-15-30-24)38-17-3-8-35-14-17)32-25(34)33-6-4-26(5-7-33)36-9-10-37-26/h1-2,11-13,15,17H,3-10,14H2,(H,32,34)(H,29,30,31)/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	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELIS...				Bioorg Med Chem 21: 7988-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.049 BindingDB Entry DOI: 10.7270/Q2ZK5J4G
					More data for this Ligand-Target Pair