Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50047810   

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))	BDBM50190727 (CHEMBL3897363) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl Show InChI InChI=1S/C24H24BrClN6O4/c1-30-4-6-31(7-5-30)19-3-2-15(10-17(19)26)29-23-16-11-20-21(12-18(16)27-14-28-23)36-24(34)32(20)8-9-35-22(33)13-25/h2-3,10-12,14H,4-9,13H2,1H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190792 (CHEMBL3921302) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl Show InChI InChI=1S/C24H24Cl2N6O4/c1-30-4-6-31(7-5-30)19-3-2-15(10-17(19)26)29-23-16-11-20-21(12-18(16)27-14-28-23)36-24(34)32(20)8-9-35-22(33)13-25/h2-3,10-12,14H,4-9,13H2,1H3,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190787 (CHEMBL3965948) Show SMILES Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCOCC1 Show InChI InChI=1S/C23H21BrClN5O5/c24-12-21(31)34-8-5-30-19-10-15-17(11-20(19)35-23(30)32)26-13-27-22(15)28-14-1-2-18(16(25)9-14)29-3-6-33-7-4-29/h1-2,9-11,13H,3-8,12H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190803 (CHEMBL3982289) Show SMILES ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCOCC5)c(Cl)c4)ncnc3cc2oc1=O Show InChI InChI=1S/C23H21Cl2N5O5/c24-12-21(31)34-8-5-30-19-10-15-17(11-20(19)35-23(30)32)26-13-27-22(15)28-14-1-2-18(16(25)9-14)29-3-6-33-7-4-29/h1-2,9-11,13H,3-8,12H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190792 (CHEMBL3921302) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl Show InChI InChI=1S/C24H24Cl2N6O4/c1-30-4-6-31(7-5-30)19-3-2-15(10-17(19)26)29-23-16-11-20-21(12-18(16)27-14-28-23)36-24(34)32(20)8-9-35-22(33)13-25/h2-3,10-12,14H,4-9,13H2,1H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190787 (CHEMBL3965948) Show SMILES Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCOCC1 Show InChI InChI=1S/C23H21BrClN5O5/c24-12-21(31)34-8-5-30-19-10-15-17(11-20(19)35-23(30)32)26-13-27-22(15)28-14-1-2-18(16(25)9-14)29-3-6-33-7-4-29/h1-2,9-11,13H,3-8,12H2,(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190727 (CHEMBL3897363) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl Show InChI InChI=1S/C24H24BrClN6O4/c1-30-4-6-31(7-5-30)19-3-2-15(10-17(19)26)29-23-16-11-20-21(12-18(16)27-14-28-23)36-24(34)32(20)8-9-35-22(33)13-25/h2-3,10-12,14H,4-9,13H2,1H3,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190803 (CHEMBL3982289) Show SMILES ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCOCC5)c(Cl)c4)ncnc3cc2oc1=O Show InChI InChI=1S/C23H21Cl2N5O5/c24-12-21(31)34-8-5-30-19-10-15-17(11-20(19)35-23(30)32)26-13-27-22(15)28-14-1-2-18(16(25)9-14)29-3-6-33-7-4-29/h1-2,9-11,13H,3-8,12H2,(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190806 (CHEMBL3936642) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H19BrClFN4O5/c27-12-24(34)36-7-6-33-21-10-18-20(11-23(21)38-26(33)35)30-14-31-25(18)32-17-4-5-22(19(28)9-17)37-13-15-2-1-3-16(29)8-15/h1-5,8-11,14H,6-7,12-13H2,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190800 (CHEMBL3912361) Show SMILES ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCCCC5)c(Cl)c4)ncnc3cc2oc1=O Show InChI InChI=1S/C24H23Cl2N5O4/c25-13-22(32)34-9-8-31-20-11-16-18(12-21(20)35-24(31)33)27-14-28-23(16)29-15-4-5-19(17(26)10-15)30-6-2-1-3-7-30/h4-5,10-12,14H,1-3,6-9,13H2,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190733 (CHEMBL3945555) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H17BrClF3N4O5/c27-12-23(36)38-7-6-35-20-10-17-19(11-22(20)40-25(35)37)32-13-33-24(17)34-15-4-5-21(18(28)9-15)39-16-3-1-2-14(8-16)26(29,30)31/h1-5,8-11,13H,6-7,12H2,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190733 (CHEMBL3945555) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H17BrClF3N4O5/c27-12-23(36)38-7-6-35-20-10-17-19(11-22(20)40-25(35)37)32-13-33-24(17)34-15-4-5-21(18(28)9-15)39-16-3-1-2-14(8-16)26(29,30)31/h1-5,8-11,13H,6-7,12H2,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190806 (CHEMBL3936642) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H19BrClFN4O5/c27-12-24(34)36-7-6-33-21-10-18-20(11-23(21)38-26(33)35)30-14-31-25(18)32-17-4-5-22(19(28)9-17)37-13-15-2-1-3-16(29)8-15/h1-5,8-11,14H,6-7,12-13H2,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190726 (CHEMBL3969628) Show SMILES Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCCCC1 Show InChI InChI=1S/C24H23BrClN5O4/c25-13-22(32)34-9-8-31-20-11-16-18(12-21(20)35-24(31)33)27-14-28-23(16)29-15-4-5-19(17(26)10-15)30-6-2-1-3-7-30/h4-5,10-12,14H,1-3,6-9,13H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190799 (CHEMBL3930270) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H17Cl2F3N4O5/c27-12-23(36)38-7-6-35-20-10-17-19(11-22(20)40-25(35)37)32-13-33-24(17)34-15-4-5-21(18(28)9-15)39-16-3-1-2-14(8-16)26(29,30)31/h1-5,8-11,13H,6-7,12H2,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190800 (CHEMBL3912361) Show SMILES ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCCCC5)c(Cl)c4)ncnc3cc2oc1=O Show InChI InChI=1S/C24H23Cl2N5O4/c25-13-22(32)34-9-8-31-20-11-16-18(12-21(20)35-24(31)33)27-14-28-23(16)29-15-4-5-19(17(26)10-15)30-6-2-1-3-7-30/h4-5,10-12,14H,1-3,6-9,13H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190801 (CHEMBL3906330) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1F Show InChI InChI=1S/C19H13BrF2N4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-12(21)13(22)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190728 (CHEMBL3940060) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl Show InChI InChI=1S/C19H13Cl2FN4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-13(22)12(21)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190731 (CHEMBL3908711) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl Show InChI InChI=1S/C19H13BrClFN4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-13(22)12(21)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190799 (CHEMBL3930270) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H17Cl2F3N4O5/c27-12-23(36)38-7-6-35-20-10-17-19(11-22(20)40-25(35)37)32-13-33-24(17)34-15-4-5-21(18(28)9-15)39-16-3-1-2-14(8-16)26(29,30)31/h1-5,8-11,13H,6-7,12H2,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190725 (CHEMBL3917657) Show SMILES CC(C)(C)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1 Show InChI InChI=1S/C23H23BrN4O4/c1-23(2,3)14-4-6-15(7-5-14)27-21-16-10-18-19(11-17(16)25-13-26-21)32-22(30)28(18)8-9-31-20(29)12-24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190731 (CHEMBL3908711) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl Show InChI InChI=1S/C19H13BrClFN4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-13(22)12(21)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190801 (CHEMBL3906330) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1F Show InChI InChI=1S/C19H13BrF2N4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-12(21)13(22)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190728 (CHEMBL3940060) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl Show InChI InChI=1S/C19H13Cl2FN4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-13(22)12(21)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190734 (CHEMBL3902295) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1F Show InChI InChI=1S/C19H13ClF2N4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-12(21)13(22)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190802 (CHEMBL3981210) Show SMILES COc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1 Show InChI InChI=1S/C27H23BrN4O6/c1-35-19-6-2-17(3-7-19)15-37-20-8-4-18(5-9-20)31-26-21-12-23-24(13-22(21)29-16-30-26)38-27(34)32(23)10-11-36-25(33)14-28/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190734 (CHEMBL3902295) Show SMILES Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1F Show InChI InChI=1S/C19H13ClF2N4O4/c20-8-17(27)29-4-3-26-15-6-11-14(7-16(15)30-19(26)28)23-9-24-18(11)25-10-1-2-12(21)13(22)5-10/h1-2,5-7,9H,3-4,8H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190729 (CHEMBL3891774) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)NC5CCCCC5)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C26H27BrN6O5/c27-14-23(34)37-11-10-33-21-12-19-20(13-22(21)38-26(33)36)28-15-29-24(19)30-17-6-8-18(9-7-17)32-25(35)31-16-4-2-1-3-5-16/h6-9,12-13,15-16H,1-5,10-11,14H2,(H,28,29,30)(H2,31,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190796 (CHEMBL3910361) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4cccc(c4)C#C)ncnc3cc2oc1=O Show InChI InChI=1S/C21H15BrN4O4/c1-2-13-4-3-5-14(8-13)25-20-15-9-17-18(10-16(15)23-12-24-20)30-21(28)26(17)6-7-29-19(27)11-22/h1,3-5,8-10,12H,6-7,11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190725 (CHEMBL3917657) Show SMILES CC(C)(C)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1 Show InChI InChI=1S/C23H23BrN4O4/c1-23(2,3)14-4-6-15(7-5-14)27-21-16-10-18-19(11-17(16)25-13-26-21)32-22(30)28(18)8-9-31-20(29)12-24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190807 (CHEMBL3915306) Show SMILES Clc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1 Show InChI InChI=1S/C26H20BrClN4O5/c27-13-24(33)35-10-9-32-22-11-20-21(12-23(22)37-26(32)34)29-15-30-25(20)31-18-5-7-19(8-6-18)36-14-16-1-3-17(28)4-2-16/h1-8,11-12,15H,9-10,13-14H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190729 (CHEMBL3891774) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)NC5CCCCC5)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C26H27BrN6O5/c27-14-23(34)37-11-10-33-21-12-19-20(13-22(21)38-26(33)36)28-15-29-24(19)30-17-6-8-18(9-7-17)32-25(35)31-16-4-2-1-3-5-16/h6-9,12-13,15-16H,1-5,10-11,14H2,(H,28,29,30)(H2,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190735 (CHEMBL3960786) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)N5CCCCC5)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C25H25BrN6O5/c26-14-22(33)36-11-10-32-20-12-18-19(13-21(20)37-25(32)35)27-15-28-23(18)29-16-4-6-17(7-5-16)30-24(34)31-8-2-1-3-9-31/h4-7,12-13,15H,1-3,8-11,14H2,(H,30,34)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190730 (CHEMBL3893306) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H19Cl2FN4O5/c27-12-24(34)36-7-6-33-21-10-18-20(11-23(21)38-26(33)35)30-14-31-25(18)32-17-4-5-22(19(28)9-17)37-13-15-2-1-3-16(29)8-15/h1-5,8-11,14H,6-7,12-13H2,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190807 (CHEMBL3915306) Show SMILES Clc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1 Show InChI InChI=1S/C26H20BrClN4O5/c27-13-24(33)35-10-9-32-22-11-20-21(12-23(22)37-26(32)34)29-15-30-25(20)31-18-5-7-19(8-6-18)36-14-16-1-3-17(28)4-2-16/h1-8,11-12,15H,9-10,13-14H2,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190730 (CHEMBL3893306) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1 Show InChI InChI=1S/C26H19Cl2FN4O5/c27-12-24(34)36-7-6-33-21-10-18-20(11-23(21)38-26(33)35)30-14-31-25(18)32-17-4-5-22(19(28)9-17)37-13-15-2-1-3-16(29)8-15/h1-5,8-11,14H,6-7,12-13H2,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190802 (CHEMBL3981210) Show SMILES COc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1 Show InChI InChI=1S/C27H23BrN4O6/c1-35-19-6-2-17(3-7-19)15-37-20-8-4-18(5-9-20)31-26-21-12-23-24(13-22(21)29-16-30-26)38-27(34)32(23)10-11-36-25(33)14-28/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190805 (CHEMBL3977016) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C26H21BrN4O5/c27-14-24(32)34-11-10-31-22-12-20-21(13-23(22)36-26(31)33)28-16-29-25(20)30-18-6-8-19(9-7-18)35-15-17-4-2-1-3-5-17/h1-9,12-13,16H,10-11,14-15H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190735 (CHEMBL3960786) Show SMILES BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)N5CCCCC5)cc4)ncnc3cc2oc1=O Show InChI InChI=1S/C25H25BrN6O5/c26-14-22(33)36-11-10-32-20-12-18-19(13-21(20)37-25(32)35)27-15-28-23(18)29-16-4-6-17(7-5-16)30-24(34)31-8-2-1-3-9-31/h4-7,12-13,15H,1-3,8-11,14H2,(H,30,34)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190726 (CHEMBL3969628) Show SMILES Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCCCC1 Show InChI InChI=1S/C24H23BrClN5O4/c25-13-22(32)34-9-8-31-20-11-16-18(12-21(20)35-24(31)33)27-14-28-23(16)29-15-4-5-19(17(26)10-15)30-6-2-1-3-7-30/h4-5,10-12,14H,1-3,6-9,13H2,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50190732 (CHEMBL3985079) Show SMILES CCOC(=O)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1 Show InChI InChI=1S/C22H19BrN4O6/c1-2-31-21(29)13-3-5-14(6-4-13)26-20-15-9-17-18(10-16(15)24-12-25-20)33-22(30)27(17)7-8-32-19(28)11-23/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay				Eur J Med Chem 120: 26-36 (2016) Article DOI: 10.1016/j.ejmech.2016.04.072 BindingDB Entry DOI: 10.7270/Q20C4XP2
					More data for this Ligand-Target Pair