Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50451299'   

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))	BDBM50451299 (CHEMBL4209119) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR E746_A750 deletion mutant in human PC9 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50451299 (CHEMBL4209119) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR E746_A750 deletion/T790M mutant in human growth-resistant PC9 cells assessed as reduction in cell viability after 72 hrs by MTT as...				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50451299 (CHEMBL4209119) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR in human NCI-H460 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair