Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50048943   

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))	BDBM50230572 (CHEMBL4078431) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C22H27BrCl2N5O4P/c1-32-20-14-19-18(22(28-15-27-19)29-17-5-2-4-16(23)12-17)13-21(20)33-10-3-11-34-35(26,31)30(8-6-24)9-7-25/h2,4-5,12-15H,3,6-11H2,1H3,(H2,26,31)(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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230570 (CHEMBL4080720) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C22H26Cl3FN5O4P/c1-33-20-13-19-16(22(29-14-28-19)30-15-3-4-18(26)17(25)11-15)12-21(20)34-9-2-10-35-36(27,32)31(7-5-23)8-6-24/h3-4,11-14H,2,5-10H2,1H3,(H2,27,32)(H,28,29,30)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230421 (CHEMBL4060320) Show SMILES NP(=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C23H29BrCl2N5O3P/c24-18-5-4-6-19(15-18)30-23-21-16-20(7-8-22(21)28-17-29-23)33-13-2-1-3-14-34-35(27,32)31(11-9-25)12-10-26/h4-8,15-17H,1-3,9-14H2,(H2,27,32)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230571 (CHEMBL4069003) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C21H25BrCl2N5O3P/c22-16-3-1-4-17(13-16)28-21-19-14-18(5-6-20(19)26-15-27-21)31-11-2-12-32-33(25,30)29(9-7-23)10-8-24/h1,3-6,13-15H,2,7-12H2,(H2,25,30)(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	3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230567 (CHEMBL4070053) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H25BrCl2N5O4P/c23-16-3-1-4-17(13-16)29-22-19-14-18(6-7-20(19)27-15-28-22)34-21(31)5-2-12-33-35(26,32)30(10-8-24)11-9-25/h1,3-4,6-7,13-15H,2,5,8-12H2,(H2,26,32)(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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230419 (CHEMBL4084847) Show SMILES NP(=O)(OCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C20H23BrCl2N5O3P/c21-15-2-1-3-16(12-15)27-20-18-13-17(4-5-19(18)25-14-26-20)30-10-11-31-32(24,29)28(8-6-22)9-7-23/h1-5,12-14H,6-11H2,(H2,24,29)(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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230568 (CHEMBL4097795) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C21H24Cl3FN5O3P/c22-6-8-30(9-7-23)34(26,31)33-11-1-10-32-16-3-5-20-17(13-16)21(28-14-27-20)29-15-2-4-19(25)18(24)12-15/h2-5,12-14H,1,6-11H2,(H2,26,31)(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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230569 (CHEMBL4087646) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H26Cl3FN5O3P/c23-7-9-31(10-8-24)35(27,32)34-12-2-1-11-33-17-4-6-21-18(14-17)22(29-15-28-21)30-16-3-5-20(26)19(25)13-16/h3-6,13-15H,1-2,7-12H2,(H2,27,32)(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230562 (CHEMBL4079768) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C23H26Cl2N5O3P/c1-2-18-5-3-6-19(15-18)29-23-21-16-20(7-8-22(21)27-17-28-23)32-13-4-14-33-34(26,31)30(11-9-24)12-10-25/h1,3,5-8,15-17H,4,9-14H2,(H2,26,31)(H,27,28,29)	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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230420 (CHEMBL4090083) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H27BrCl2N5O3P/c23-17-4-3-5-18(14-17)29-22-20-15-19(6-7-21(20)27-16-28-22)32-12-1-2-13-33-34(26,31)30(10-8-24)11-9-25/h3-7,14-16H,1-2,8-13H2,(H2,26,31)(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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230564 (CHEMBL4097245) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H24Cl3FN5O4P/c23-7-9-31(10-8-24)36(27,33)34-11-1-2-21(32)35-16-4-6-20-17(13-16)22(29-14-28-20)30-15-3-5-19(26)18(25)12-15/h3-6,12-14H,1-2,7-11H2,(H2,27,33)(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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230417 (CHEMBL4077956) Show SMILES NP(=O)(Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C18H19BrCl2N5O2P/c19-13-2-1-3-14(10-13)25-18-16-11-15(4-5-17(16)23-12-24-18)28-29(22,27)26(8-6-20)9-7-21/h1-5,10-12H,6-9H2,(H2,22,27)(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	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230422 (CHEMBL4091626) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C24H28Cl2N5O3P/c1-2-19-6-5-7-20(16-19)30-24-22-17-21(8-9-23(22)28-18-29-24)33-14-3-4-15-34-35(27,32)31(12-10-25)13-11-26/h1,5-9,16-18H,3-4,10-15H2,(H2,27,32)(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	11	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230563 (CHEMBL4104950) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C29H32Cl3FN5O5P/c1-40-27-17-25-23(16-28(27)41-12-3-13-43-44(34,39)38(10-8-30)11-9-31)29(36-19-35-25)37-22-6-7-26(24(32)15-22)42-18-20-4-2-5-21(33)14-20/h2,4-7,14-17,19H,3,8-13,18H2,1H3,(H2,34,39)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230565 (CHEMBL4061382) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C29H30Cl3FN5O5P/c30-10-12-38(13-11-31)44(34,40)42-14-2-5-28(39)43-23-7-8-26-24(17-23)29(36-19-35-26)37-22-6-9-27(25(32)16-22)41-18-20-3-1-4-21(33)15-20/h1,3-4,6-9,15-17,19H,2,5,10-14,18H2,(H2,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230561 (CHEMBL4105530) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C29H32Cl3FN5O4P/c30-10-12-38(13-11-31)43(34,39)42-15-2-1-14-40-24-7-8-27-25(18-24)29(36-20-35-27)37-23-6-9-28(26(32)17-23)41-19-21-4-3-5-22(33)16-21/h3-9,16-18,20H,1-2,10-15,19H2,(H2,34,39)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50230566 (CHEMBL4097216) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C28H30Cl3FN5O4P/c29-9-11-37(12-10-30)42(33,38)41-14-2-13-39-23-6-7-26-24(17-23)28(35-19-34-26)36-22-5-8-27(25(31)16-22)40-18-20-3-1-4-21(32)15-20/h1,3-8,15-17,19H,2,9-14,18H2,(H2,33,38)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230420 (CHEMBL4090083) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H27BrCl2N5O3P/c23-17-4-3-5-18(14-17)29-22-20-15-19(6-7-21(20)27-16-28-22)32-12-1-2-13-33-34(26,31)30(10-8-24)11-9-25/h3-7,14-16H,1-2,8-13H2,(H2,26,31)(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	82	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230421 (CHEMBL4060320) Show SMILES NP(=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C23H29BrCl2N5O3P/c24-18-5-4-6-19(15-18)30-23-21-16-20(7-8-22(21)28-17-29-23)33-13-2-1-3-14-34-35(27,32)31(11-9-25)12-10-26/h4-8,15-17H,1-3,9-14H2,(H2,27,32)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230419 (CHEMBL4084847) Show SMILES NP(=O)(OCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C20H23BrCl2N5O3P/c21-15-2-1-3-16(12-15)27-20-18-13-17(4-5-19(18)25-14-26-20)30-10-11-31-32(24,29)28(8-6-22)9-7-23/h1-5,12-14H,6-11H2,(H2,24,29)(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	180	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230561 (CHEMBL4105530) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C29H32Cl3FN5O4P/c30-10-12-38(13-11-31)43(34,39)42-15-2-1-14-40-24-7-8-27-25(18-24)29(36-20-35-27)37-23-6-9-28(26(32)17-23)41-19-21-4-3-5-22(33)16-21/h3-9,16-18,20H,1-2,10-15,19H2,(H2,34,39)(H,35,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230562 (CHEMBL4079768) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C23H26Cl2N5O3P/c1-2-18-5-3-6-19(15-18)29-23-21-16-20(7-8-22(21)27-17-28-23)32-13-4-14-33-34(26,31)30(11-9-24)12-10-25/h1,3,5-8,15-17H,4,9-14H2,(H2,26,31)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230567 (CHEMBL4070053) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H25BrCl2N5O4P/c23-16-3-1-4-17(13-16)29-22-19-14-18(6-7-20(19)27-15-28-22)34-21(31)5-2-12-33-35(26,32)30(10-8-24)11-9-25/h1,3-4,6-7,13-15H,2,5,8-12H2,(H2,26,32)(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	240	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230571 (CHEMBL4069003) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C21H25BrCl2N5O3P/c22-16-3-1-4-17(13-16)28-21-19-14-18(5-6-20(19)26-15-27-21)31-11-2-12-32-33(25,30)29(9-7-23)10-8-24/h1,3-6,13-15H,2,7-12H2,(H2,25,30)(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	890	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230563 (CHEMBL4104950) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C29H32Cl3FN5O5P/c1-40-27-17-25-23(16-28(27)41-12-3-13-43-44(34,39)38(10-8-30)11-9-31)29(36-19-35-25)37-22-6-7-26(24(32)15-22)42-18-20-4-2-5-21(33)14-20/h2,4-7,14-17,19H,3,8-13,18H2,1H3,(H2,34,39)(H,35,36,37)	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
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230417 (CHEMBL4077956) Show SMILES NP(=O)(Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C18H19BrCl2N5O2P/c19-13-2-1-3-14(10-13)25-18-16-11-15(4-5-17(16)23-12-24-18)28-29(22,27)26(8-6-20)9-7-21/h1-5,10-12H,6-9H2,(H2,22,27)(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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230570 (CHEMBL4080720) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C22H26Cl3FN5O4P/c1-33-20-13-19-16(22(29-14-28-19)30-15-3-4-18(26)17(25)11-15)12-21(20)34-9-2-10-35-36(27,32)31(7-5-23)8-6-24/h3-4,11-14H,2,5-10H2,1H3,(H2,27,32)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230566 (CHEMBL4097216) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C28H30Cl3FN5O4P/c29-9-11-37(12-10-30)42(33,38)41-14-2-13-39-23-6-7-26-24(17-23)28(35-19-34-26)36-22-5-8-27(25(31)16-22)40-18-20-3-1-4-21(32)15-20/h1,3-8,15-17,19H,2,9-14,18H2,(H2,33,38)(H,34,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230422 (CHEMBL4091626) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C24H28Cl2N5O3P/c1-2-19-6-5-7-20(16-19)30-24-22-17-21(8-9-23(22)28-18-29-24)33-14-3-4-15-34-35(27,32)31(12-10-25)13-11-26/h1,5-9,16-18H,3-4,10-15H2,(H2,27,32)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230569 (CHEMBL4087646) Show SMILES NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H26Cl3FN5O3P/c23-7-9-31(10-8-24)35(27,32)34-12-2-1-11-33-17-4-6-21-18(14-17)22(29-15-28-21)30-16-3-5-20(26)19(25)13-16/h3-6,13-15H,1-2,7-12H2,(H2,27,32)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230564 (CHEMBL4097245) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C22H24Cl3FN5O4P/c23-7-9-31(10-8-24)36(27,33)34-11-1-2-21(32)35-16-4-6-20-17(13-16)22(29-14-28-20)30-15-3-5-19(26)18(25)12-15/h3-6,12-14H,1-2,7-11H2,(H2,27,33)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230568 (CHEMBL4097795) Show SMILES NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C21H24Cl3FN5O3P/c22-6-8-30(9-7-23)34(26,31)33-11-1-10-32-16-3-5-20-17(13-16)21(28-14-27-20)29-15-2-4-19(25)18(24)12-15/h2-5,12-14H,1,6-11H2,(H2,26,31)(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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230565 (CHEMBL4061382) Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl Show InChI InChI=1S/C29H30Cl3FN5O5P/c30-10-12-38(13-11-31)44(34,40)42-14-2-5-28(39)43-23-7-8-26-24(17-23)29(36-19-35-26)37-22-6-9-27(25(32)16-22)41-18-20-3-1-4-21(33)15-20/h1,3-4,6-9,15-17,19H,2,5,10-14,18H2,(H2,34,40)(H,35,36,37)	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
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50230572 (CHEMBL4078431) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C22H27BrCl2N5O4P/c1-32-20-14-19-18(22(28-15-27-19)29-17-5-2-4-16(23)12-17)13-21(20)33-10-3-11-34-35(26,31)30(8-6-24)9-7-25/h2,4-5,12-15H,3,6-11H2,1H3,(H2,26,31)(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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
					More data for this Ligand-Target Pair