Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'duan' and Initial = 'h'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481609 (CHEMBL610504) Show SMILES CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481608 (CHEMBL598081) Show SMILES CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O Show InChI InChI=1S/C15H11BrN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481605 (CHEMBL598288) Show SMILES CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O Show InChI InChI=1S/C16H14N2O2/c1-10-3-5-11(6-4-10)17-12-7-8-13-14(9-12)16(20)18(2)15(13)19/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481604 (CHEMBL610505) Show SMILES CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481606 (CHEMBL598082) Show SMILES COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1 Show InChI InChI=1S/C16H14N2O3/c1-18-15(19)13-8-5-11(9-14(13)16(18)20)17-10-3-6-12(21-2)7-4-10/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481607 (CHEMBL598083) Show SMILES CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O Show InChI InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50122787 (2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1 Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040929 (4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...) Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040923 (2-Methyl-5,6-bis-phenylamino-isoindole-1,3-dione |...) Show SMILES CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-13,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531066 (CHEMBL4588786) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C38H59NO9/c1-25(40)46-24-35(6)29-13-16-37(8)30(34(29,5)15-14-31(35)48-26(2)41)12-11-27-28-23-33(3,4)17-19-38(28,20-18-36(27,37)7)32(42)45-21-9-10-22-47-39(43)44/h11,28-31H,9-10,12-24H2,1-8H3/t28-,29+,30+,31-,34-,35-,36+,37+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531066 (CHEMBL4588786) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C38H59NO9/c1-25(40)46-24-35(6)29-13-16-37(8)30(34(29,5)15-14-31(35)48-26(2)41)12-11-27-28-23-33(3,4)17-19-38(28,20-18-36(27,37)7)32(42)45-21-9-10-22-47-39(43)44/h11,28-31H,9-10,12-24H2,1-8H3/t28-,29+,30+,31-,34-,35-,36+,37+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50257608 (CHEMBL4086928) Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26| Show InChI InChI=1S/C26H35N3O3/c1-31-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-32-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531065 (CHEMBL4452906) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C36H57NO7/c1-24(38)44-29-14-15-33(6)27(32(29,4)5)13-16-35(8)28(33)12-11-25-26-23-31(2,3)17-19-36(26,20-18-34(25,35)7)30(39)42-21-9-10-22-43-37(40)41/h11,26-29H,9-10,12-23H2,1-8H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531065 (CHEMBL4452906) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C36H57NO7/c1-24(38)44-29-14-15-33(6)27(32(29,4)5)13-16-35(8)28(33)12-11-25-26-23-31(2,3)17-19-36(26,20-18-34(25,35)7)30(39)42-21-9-10-22-43-37(40)41/h11,26-29H,9-10,12-23H2,1-8H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50257607 (CHEMBL4104806) Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26| Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531069 (CHEMBL4437863) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531069 (CHEMBL4437863) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Rattus norvegicus)	BDBM50257262 (CHEMBL4093499) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1 Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)19-9-7-16(8-10-19)14-25-20(27)18-6-4-5-17(13-18)15-26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14-15H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Immunobiology and Cancer Program, Oklahoma Medical Research Foundation , 825 NE 13th Street, Oklahoma City, Oklahoma 73104, United States. Curated by ChEMBL					Assay Description Inhibition of PERK activation in rat INS-1 cells assessed as suppression of tunicamycin-induced CHOP mRNA expression after 8 hrs by qRT-PCR analysis				J Med Chem 60: 6191-6204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00435 BindingDB Entry DOI: 10.7270/Q2N87D71
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531061 (CHEMBL4537422) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C34H55NO7/c1-29(2)15-17-34(28(38)41-19-7-8-20-42-35(39)40)18-16-32(5)23(24(34)21-29)9-10-26-30(3)13-12-27(37)31(4,22-36)25(30)11-14-33(26,32)6/h9,24-27,36-37H,7-8,10-22H2,1-6H3/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531061 (CHEMBL4537422) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C34H55NO7/c1-29(2)15-17-34(28(38)41-19-7-8-20-42-35(39)40)18-16-32(5)23(24(34)21-29)9-10-26-30(3)13-12-27(37)31(4,22-36)25(30)11-14-33(26,32)6/h9,24-27,36-37H,7-8,10-22H2,1-6H3/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531066 (CHEMBL4588786) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C38H59NO9/c1-25(40)46-24-35(6)29-13-16-37(8)30(34(29,5)15-14-31(35)48-26(2)41)12-11-27-28-23-33(3,4)17-19-38(28,20-18-36(27,37)7)32(42)45-21-9-10-22-47-39(43)44/h11,28-31H,9-10,12-24H2,1-8H3/t28-,29+,30+,31-,34-,35-,36+,37+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531066 (CHEMBL4588786) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C38H59NO9/c1-25(40)46-24-35(6)29-13-16-37(8)30(34(29,5)15-14-31(35)48-26(2)41)12-11-27-28-23-33(3,4)17-19-38(28,20-18-36(27,37)7)32(42)45-21-9-10-22-47-39(43)44/h11,28-31H,9-10,12-24H2,1-8H3/t28-,29+,30+,31-,34-,35-,36+,37+,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531065 (CHEMBL4452906) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C36H57NO7/c1-24(38)44-29-14-15-33(6)27(32(29,4)5)13-16-35(8)28(33)12-11-25-26-23-31(2,3)17-19-36(26,20-18-34(25,35)7)30(39)42-21-9-10-22-43-37(40)41/h11,26-29H,9-10,12-23H2,1-8H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531065 (CHEMBL4452906) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C36H57NO7/c1-24(38)44-29-14-15-33(6)27(32(29,4)5)13-16-35(8)28(33)12-11-25-26-23-31(2,3)17-19-36(26,20-18-34(25,35)7)30(39)42-21-9-10-22-43-37(40)41/h11,26-29H,9-10,12-23H2,1-8H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531069 (CHEMBL4437863) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531069 (CHEMBL4437863) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531061 (CHEMBL4537422) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C34H55NO7/c1-29(2)15-17-34(28(38)41-19-7-8-20-42-35(39)40)18-16-32(5)23(24(34)21-29)9-10-26-30(3)13-12-27(37)31(4,22-36)25(30)11-14-33(26,32)6/h9,24-27,36-37H,7-8,10-22H2,1-6H3/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531061 (CHEMBL4537422) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCCCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C34H55NO7/c1-29(2)15-17-34(28(38)41-19-7-8-20-42-35(39)40)18-16-32(5)23(24(34)21-29)9-10-26-30(3)13-12-27(37)31(4,22-36)25(30)11-14-33(26,32)6/h9,24-27,36-37H,7-8,10-22H2,1-6H3/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					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	390	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	390	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50531069 (CHEMBL4437863) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCO[N+]([O-])=O |r,t:15| Show InChI InChI=1S/C32H51NO6/c1-27(2)14-16-32(26(35)38-18-19-39-33(36)37)17-15-30(6)21(22(32)20-27)8-9-24-29(5)12-11-25(34)28(3,4)23(29)10-13-31(24,30)7/h8,22-25,34H,9-20H2,1-7H3/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...				J Nat Prod 82: 3065-3073 (2019) Article DOI: 10.1021/acs.jnatprod.9b00659 BindingDB Entry DOI: 10.7270/Q2FX7DZ4
					More data for this Ligand-Target Pair

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