Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50451291'   

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))	BDBM50451291 (CHEMBL4208712) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	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))	BDBM50451291 (CHEMBL4208712) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+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))	BDBM50451291 (CHEMBL4208712) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+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