Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237140'   

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))	BDBM50237140 (CHEMBL4068763) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(Nc3cccc(F)c3)ccc12 Show InChI InChI=1S/C28H32FN7O2/c1-6-27(37)31-23-16-24(26(38-5)17-25(23)36(4)13-12-35(2)3)32-28-21-11-10-20(15-22(21)33-34-28)30-19-9-7-8-18(29)14-19/h6-11,14-17,30H,1,12-13H2,2-5H3,(H,31,37)(H2,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Reversible inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus...				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))	BDBM50237140 (CHEMBL4068763) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(Nc3cccc(F)c3)ccc12 Show InChI InChI=1S/C28H32FN7O2/c1-6-27(37)31-23-16-24(26(38-5)17-25(23)36(4)13-12-35(2)3)32-28-21-11-10-20(15-22(21)33-34-28)30-19-9-7-8-18(29)14-19/h6-11,14-17,30H,1,12-13H2,2-5H3,(H,31,37)(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	<1	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined				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))	BDBM50237140 (CHEMBL4068763) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(Nc3cccc(F)c3)ccc12 Show InChI InChI=1S/C28H32FN7O2/c1-6-27(37)31-23-16-24(26(38-5)17-25(23)36(4)13-12-35(2)3)32-28-21-11-10-20(15-22(21)33-34-28)30-19-9-7-8-18(29)14-19/h6-11,14-17,30H,1,12-13H2,2-5H3,(H,31,37)(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	3.10E+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