Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237144'   

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))	BDBM50237144 (CHEMBL4103757) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C30H37N7O2/c1-8-29(38)31-25-18-26(28(39-7)19-27(25)37(6)15-14-35(2)3)32-30-23-13-12-21(17-24(23)33-34-30)20-10-9-11-22(16-20)36(4)5/h8-13,16-19H,1,14-15H2,2-7H3,(H,31,38)(H2,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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))	BDBM50237144 (CHEMBL4103757) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C30H37N7O2/c1-8-29(38)31-25-18-26(28(39-7)19-27(25)37(6)15-14-35(2)3)32-30-23-13-12-21(17-24(23)33-34-30)20-10-9-11-22(16-20)36(4)5/h8-13,16-19H,1,14-15H2,2-7H3,(H,31,38)(H2,32,33,34)	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	3.47E+3	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell viability after 96 hrs by CellTiterGlo assay				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