Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237155'   

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))	BDBM50237155 (CHEMBL4090330) Show SMILES CN(C)CCN(C)c1ccc(Nc2n[nH]c3ccccc23)cc1NC(=O)C=C Show InChI InChI=1S/C21H26N6O/c1-5-20(28)23-18-14-15(10-11-19(18)27(4)13-12-26(2)3)22-21-16-8-6-7-9-17(16)24-25-21/h5-11,14H,1,12-13H2,2-4H3,(H,23,28)(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression...				J Med Chem 60: 2361-2372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50237155 (CHEMBL4090330) Show SMILES CN(C)CCN(C)c1ccc(Nc2n[nH]c3ccccc23)cc1NC(=O)C=C Show InChI InChI=1S/C21H26N6O/c1-5-20(28)23-18-14-15(10-11-19(18)27(4)13-12-26(2)3)22-21-16-8-6-7-9-17(16)24-25-21/h5-11,14H,1,12-13H2,2-4H3,(H,23,28)(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.97E+3	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Dissociation constant was determined in presence of Rev Response Element RNA IIB				J Med Chem 60: 2361-2372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R
					More data for this Ligand-Target Pair