Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50532254'   

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))	BDBM50532254 (CHEMBL4438135) Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1 Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840 BindingDB Entry DOI: 10.7270/Q21G0QR9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532254 (CHEMBL4438135) Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1 Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840 BindingDB Entry DOI: 10.7270/Q21G0QR9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532254 (CHEMBL4438135) Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1 Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840 BindingDB Entry DOI: 10.7270/Q21G0QR9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532254 (CHEMBL4438135) Show SMILES CNN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c2nccn2c3=O)c(OC)c1 Show InChI InChI=1S/C29H30N10O3/c1-4-25(40)33-19-6-5-7-21(16-19)39-26-22(27(41)38-11-10-31-29(38)39)18-32-28(35-26)34-23-9-8-20(17-24(23)42-3)36-12-14-37(30-2)15-13-36/h4-11,16-18,30H,1,12-15H2,2-3H3,(H,33,40)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840 BindingDB Entry DOI: 10.7270/Q21G0QR9
					More data for this Ligand-Target Pair