Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50000776   

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))	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260359 (CHEMBL4079658) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O3/c1-7-27(36)30-22-16-23(26(38-6)17-25(22)33(2)14-15-35(4,5)37)32-28-29-13-12-21(31-28)20-18-34(3)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	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260361 (CHEMBL4066170) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12 Show InChI InChI=1S/C28H32FN7O3/c1-7-27(37)31-22-15-23(26(39-6)16-25(22)34(2)12-13-36(4,5)38)33-28-30-11-10-21(32-28)20-17-35(3)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260362 (CHEMBL4072620) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12 Show InChI InChI=1S/C28H32FN7O3/c1-7-26(37)31-22-15-23(25(39-6)16-24(22)34(2)13-14-36(4,5)38)33-28-30-12-11-21(32-28)19-17-35(3)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260360 (CHEMBL4103912) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12 Show InChI InChI=1S/C28H32FN7O2/c1-7-27(37)31-22-15-23(26(38-6)16-25(22)35(4)13-12-34(2)3)33-28-30-11-10-21(32-28)20-17-36(5)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260360 (CHEMBL4103912) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12 Show InChI InChI=1S/C28H32FN7O2/c1-7-27(37)31-22-15-23(26(38-6)16-25(22)35(4)13-12-34(2)3)33-28-30-11-10-21(32-28)20-17-36(5)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260363 (CHEMBL4087538) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12 Show InChI InChI=1S/C28H32FN7O2/c1-7-26(37)31-22-15-23(25(38-6)16-24(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)19-17-36(5)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260363 (CHEMBL4087538) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12 Show InChI InChI=1S/C28H32FN7O2/c1-7-26(37)31-22-15-23(25(38-6)16-24(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)19-17-36(5)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					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	225	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260359 (CHEMBL4079658) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O3/c1-7-27(36)30-22-16-23(26(38-6)17-25(22)33(2)14-15-35(4,5)37)32-28-29-13-12-21(31-28)20-18-34(3)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	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	318	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260361 (CHEMBL4066170) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccc(F)cc12 Show InChI InChI=1S/C28H32FN7O3/c1-7-27(37)31-22-15-23(26(39-6)16-25(22)34(2)12-13-36(4,5)38)33-28-30-11-10-21(32-28)20-17-35(3)24-9-8-18(29)14-19(20)24/h7-11,14-17H,1,12-13H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50260362 (CHEMBL4072620) Show SMILES COc1cc(N(C)CC[N+](C)(C)[O-])c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(F)cccc12 Show InChI InChI=1S/C28H32FN7O3/c1-7-26(37)31-22-15-23(25(39-6)16-24(22)34(2)13-14-36(4,5)38)33-28-30-12-11-21(32-28)19-17-35(3)27-18(19)9-8-10-20(27)29/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University-Peking University Joint Center for Life Sciences Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4553-4559 (2017) Article DOI: 10.1016/j.bmc.2017.06.004 BindingDB Entry DOI: 10.7270/Q28K7CKS
					More data for this Ligand-Target Pair