Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50451289'   

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))	BDBM50451289 (CHEMBL4216784) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)15-7-8-18(20(13-15)30-2)26-22-25-14-16(23)21(27-22)31-19-6-4-3-5-17(19)24/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+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))	BDBM50451289 (CHEMBL4216784) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)15-7-8-18(20(13-15)30-2)26-22-25-14-16(23)21(27-22)31-19-6-4-3-5-17(19)24/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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))	BDBM50451289 (CHEMBL4216784) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)15-7-8-18(20(13-15)30-2)26-22-25-14-16(23)21(27-22)31-19-6-4-3-5-17(19)24/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.78E+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 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