Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50529684'   

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))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529684 (CHEMBL4460320) Show SMILES CC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C Show InChI InChI=1S/C31H39N7O2/c1-8-9-14-30(39)33-25-18-26(29(40-7)19-28(25)37(5)16-15-36(3)4)35-31-32-21(2)17-24(34-31)23-20-38(6)27-13-11-10-12-22(23)27/h9-14,17-20H,8,15-16H2,1-7H3,(H,33,39)(H,32,34,35)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay				Eur J Med Chem 163: 367-380 (2019) Article DOI: 10.1016/j.ejmech.2018.11.069 BindingDB Entry DOI: 10.7270/Q2BP0677
					More data for this Ligand-Target Pair